N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methylindazol-3-amine

C128H121F5N24O4 — CID 157145128

IUPACN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methylindazol-3-amine
SMILESCc1cc(-c2ncccc2-c2ccc3c(c2)c(N)nn3C)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncc(C(=O)N[C@@H]4CN5CCC4CC5)n3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncc(C(=O)N[C@H]4CN5CCC4CC5)n3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccn3ncc(C(=O)N[C@@H]4CN5CCC4CC5)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccn3ncc(C(=O)N[C@H]4CN5CCC4CC5)c3c2)ccc1F
InChIInChI=1S/4C27H26FN5O.C20H17FN4/c2*1-17-13-19(4-6-22(17)28)26-21(3-2-10-29-26)20-5-7-25-30-14-24(33(25)15-20)27(34)31-23-16-32-11-8-18(23)9-12-32;2*1-17-13-20(4-5-23(17)28)26-21(3-2-9-29-26)19-8-12-33-25(14-19)22(15-30-33)27(34)31-24-16-32-10-6-18(24)7-11-32;1-12-10-14(5-7-17(12)21)19-15(4-3-9-23-19)13-6-8-18-16(11-13)20(22)24-25(18)2/h2*2-7,10,13-15,18,23H,8-9,11-12,16H2,1H3,(H,31,34);2*2-5,8-9,12-15,18,24H,6-7,10-11,16H2,1H3,(H,31,34);3-11H,1-2H3,(H2,22,24)/t2*23-;2*24-;/m1010./s1
InChIKeyAKPQMGOCDAZUFJ-XKDDOVEHSA-N
MW2154.53 g/mol
LogP21.67
Rot. Bonds18

About N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methylindazol-3-amine

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methylindazol-3-amine (PubChem CID 157145128) has the molecular formula C128H121F5N24O4 and a molecular weight of 2154.53 g/mol. Its IUPAC name is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methylindazol-3-amine.

Molecular Properties

Compound NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methylindazol-3-amine
PubChem CID157145128
Molecular FormulaC128H121F5N24O4
Molecular Weight2154.53 g/mol
Exact Mass2152.99
IUPAC NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methylindazol-3-amine
SMILESCc1cc(-c2ncccc2-c2ccc3c(c2)c(N)nn3C)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncc(C(=O)N[C@@H]4CN5CCC4CC5)n3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncc(C(=O)N[C@H]4CN5CCC4CC5)n3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccn3ncc(C(=O)N[C@@H]4CN5CCC4CC5)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccn3ncc(C(=O)N[C@H]4CN5CCC4CC5)c3c2)ccc1F
InChIInChI=1S/4C27H26FN5O.C20H17FN4/c2*1-17-13-19(4-6-22(17)28)26-21(3-2-10-29-26)20-5-7-25-30-14-24(33(25)15-20)27(34)31-23-16-32-11-8-18(23)9-12-32;2*1-17-13-20(4-5-23(17)28)26-21(3-2-9-29-26)19-8-12-33-25(14-19)22(15-30-33)27(34)31-24-16-32-10-6-18(24)7-11-32;1-12-10-14(5-7-17(12)21)19-15(4-3-9-23-19)13-6-8-18-16(11-13)20(22)24-25(18)2/h2*2-7,10,13-15,18,23H,8-9,11-12,16H2,1H3,(H,31,34);2*2-5,8-9,12-15,18,24H,6-7,10-11,16H2,1H3,(H,31,34);3-11H,1-2H3,(H2,22,24)/t2*23-;2*24-;/m1010./s1
InChIKeyAKPQMGOCDAZUFJ-XKDDOVEHSA-N
XLogP21.67
TPSA306.85 Ų
H-Bond Donors5
H-Bond Acceptors24
Rotatable Bonds18
Heavy Atoms161
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002154.53
LogP ≤ 521.67
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1024

Analyze N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methylindazol-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methylindazol-3-amine?
The IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methylindazol-3-amine (CID 157145128) is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methylindazol-3-amine.
What is the SMILES notation for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methylindazol-3-amine?
The canonical SMILES for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methylindazol-3-amine is Cc1cc(-c2ncccc2-c2ccc3c(c2)c(N)nn3C)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncc(C(=O)N[C@@H]4CN5CCC4CC5)n3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncc(C(=O)N[C@H]4CN5CCC4CC5)n3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccn3ncc(C(=O)N[C@@H]4CN5CCC4CC5)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccn3ncc(C(=O)N[C@H]4CN5CCC4CC5)c3c2)ccc1F.
What is the InChIKey of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methylindazol-3-amine?
The InChIKey is AKPQMGOCDAZUFJ-XKDDOVEHSA-N. The full InChI is InChI=1S/4C27H26FN5O.C20H17FN4/c2*1-17-13-19(4-6-22(17)28)26-21(3-2-10-29-26)20-5-7-25-30-14-24(33(25)15-20)27(34)31-23-16-32-11-8-18(23)9-12-32;2*1-17-13-20(4-5-23(17)28)26-21(3-2-9-29-26)19-8-12-33-25(14-19)22(15-30-33)27(34)31-24-16-32-10-6-18(24)7-11-32;1-12-10-14(5-7-17(12)21)19-15(4-3-9-23-19)13-6-8-18-16(11-13)20(22)24-25(18)2/h2*2-7,10,13-15,18,23H,8-9,11-12,16H2,1H3,(H,31,34);2*2-5,8-9,12-15,18,24H,6-7,10-11,16H2,1H3,(H,31,34);3-11H,1-2H3,(H2,22,24)/t2*23-;2*24-;/m1010./s1.
What are the key properties of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methylindazol-3-amine?
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methylindazol-3-amine has a molecular weight of 2154.53 g/mol, XLogP of 21.67, 18 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methylindazol-3-amine is sourced from PubChem (CID 157145128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).