N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]-1-[(3S)-oxolan-3-yl]pyrazolo[4,3-b]pyridin-7-amine;N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]-2-[(3S)-oxolan-3-yl]pyrazolo[4,3-b]pyridin-7-amine

C44H42F2N12O2 — CID 160606577

IUPACN-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]-1-[(3S)-oxolan-3-yl]pyrazolo[4,3-b]pyridin-7-amine;N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]-2-[(3S)-oxolan-3-yl]pyrazolo[4,3-b]pyridin-7-amine
SMILESCc1ccc(F)c(-c2cc(Nc3ccnc4cn([C@H]5CCOC5)nc34)c(C)cn2)n1.Cc1ccc(F)c(-c2cc(Nc3ccnc4cnn([C@H]5CCOC5)c34)c(C)cn2)n1
InChIInChI=1S/2C22H21FN6O/c1-13-10-25-19(21-16(23)4-3-14(2)26-21)9-18(13)27-17-5-7-24-20-11-29(28-22(17)20)15-6-8-30-12-15;1-13-10-25-19(21-16(23)4-3-14(2)27-21)9-18(13)28-17-5-7-24-20-11-26-29(22(17)20)15-6-8-30-12-15/h3-5,7,9-11,15H,6,8,12H2,1-2H3,(H,25,27);3-5,7,9-11,15H,6,8,12H2,1-2H3,(H,24,25,28)/t2*15-/m00/s1
InChIKeyREYHIPLCKMCKEH-HJIBXMCBSA-N
MW808.90 g/mol
LogP8.70
Rot. Bonds8

About N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]-1-[(3S)-oxolan-3-yl]pyrazolo[4,3-b]pyridin-7-amine;N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]-2-[(3S)-oxolan-3-yl]pyrazolo[4,3-b]pyridin-7-amine

N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]-1-[(3S)-oxolan-3-yl]pyrazolo[4,3-b]pyridin-7-amine;N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]-2-[(3S)-oxolan-3-yl]pyrazolo[4,3-b]pyridin-7-amine (PubChem CID 160606577) has the molecular formula C44H42F2N12O2 and a molecular weight of 808.90 g/mol. Its IUPAC name is N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]-1-[(3S)-oxolan-3-yl]pyrazolo[4,3-b]pyridin-7-amine;N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]-2-[(3S)-oxolan-3-yl]pyrazolo[4,3-b]pyridin-7-amine.

Molecular Properties

Compound NameN-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]-1-[(3S)-oxolan-3-yl]pyrazolo[4,3-b]pyridin-7-amine;N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]-2-[(3S)-oxolan-3-yl]pyrazolo[4,3-b]pyridin-7-amine
PubChem CID160606577
Molecular FormulaC44H42F2N12O2
Molecular Weight808.90 g/mol
Exact Mass808.35
IUPAC NameN-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]-1-[(3S)-oxolan-3-yl]pyrazolo[4,3-b]pyridin-7-amine;N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]-2-[(3S)-oxolan-3-yl]pyrazolo[4,3-b]pyridin-7-amine
SMILESCc1ccc(F)c(-c2cc(Nc3ccnc4cn([C@H]5CCOC5)nc34)c(C)cn2)n1.Cc1ccc(F)c(-c2cc(Nc3ccnc4cnn([C@H]5CCOC5)c34)c(C)cn2)n1
InChIInChI=1S/2C22H21FN6O/c1-13-10-25-19(21-16(23)4-3-14(2)26-21)9-18(13)27-17-5-7-24-20-11-29(28-22(17)20)15-6-8-30-12-15;1-13-10-25-19(21-16(23)4-3-14(2)27-21)9-18(13)28-17-5-7-24-20-11-26-29(22(17)20)15-6-8-30-12-15/h3-5,7,9-11,15H,6,8,12H2,1-2H3,(H,25,27);3-5,7,9-11,15H,6,8,12H2,1-2H3,(H,24,25,28)/t2*15-/m00/s1
InChIKeyREYHIPLCKMCKEH-HJIBXMCBSA-N
XLogP8.70
TPSA155.50 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500808.90
LogP ≤ 58.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]-1-[(3S)-oxolan-3-yl]pyrazolo[4,3-b]pyridin-7-amine;N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]-2-[(3S)-oxolan-3-yl]pyrazolo[4,3-b]pyridin-7-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]-1-[(3S)-oxolan-3-yl]pyrazolo[4,3-b]pyridin-7-amine;N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]-2-[(3S)-oxolan-3-yl]pyrazolo[4,3-b]pyridin-7-amine?
The IUPAC name of N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]-1-[(3S)-oxolan-3-yl]pyrazolo[4,3-b]pyridin-7-amine;N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]-2-[(3S)-oxolan-3-yl]pyrazolo[4,3-b]pyridin-7-amine (CID 160606577) is N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]-1-[(3S)-oxolan-3-yl]pyrazolo[4,3-b]pyridin-7-amine;N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]-2-[(3S)-oxolan-3-yl]pyrazolo[4,3-b]pyridin-7-amine.
What is the SMILES notation for N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]-1-[(3S)-oxolan-3-yl]pyrazolo[4,3-b]pyridin-7-amine;N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]-2-[(3S)-oxolan-3-yl]pyrazolo[4,3-b]pyridin-7-amine?
The canonical SMILES for N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]-1-[(3S)-oxolan-3-yl]pyrazolo[4,3-b]pyridin-7-amine;N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]-2-[(3S)-oxolan-3-yl]pyrazolo[4,3-b]pyridin-7-amine is Cc1ccc(F)c(-c2cc(Nc3ccnc4cn([C@H]5CCOC5)nc34)c(C)cn2)n1.Cc1ccc(F)c(-c2cc(Nc3ccnc4cnn([C@H]5CCOC5)c34)c(C)cn2)n1.
What is the InChIKey of N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]-1-[(3S)-oxolan-3-yl]pyrazolo[4,3-b]pyridin-7-amine;N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]-2-[(3S)-oxolan-3-yl]pyrazolo[4,3-b]pyridin-7-amine?
The InChIKey is REYHIPLCKMCKEH-HJIBXMCBSA-N. The full InChI is InChI=1S/2C22H21FN6O/c1-13-10-25-19(21-16(23)4-3-14(2)26-21)9-18(13)27-17-5-7-24-20-11-29(28-22(17)20)15-6-8-30-12-15;1-13-10-25-19(21-16(23)4-3-14(2)27-21)9-18(13)28-17-5-7-24-20-11-26-29(22(17)20)15-6-8-30-12-15/h3-5,7,9-11,15H,6,8,12H2,1-2H3,(H,25,27);3-5,7,9-11,15H,6,8,12H2,1-2H3,(H,24,25,28)/t2*15-/m00/s1.
What are the key properties of N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]-1-[(3S)-oxolan-3-yl]pyrazolo[4,3-b]pyridin-7-amine;N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]-2-[(3S)-oxolan-3-yl]pyrazolo[4,3-b]pyridin-7-amine?
N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]-1-[(3S)-oxolan-3-yl]pyrazolo[4,3-b]pyridin-7-amine;N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]-2-[(3S)-oxolan-3-yl]pyrazolo[4,3-b]pyridin-7-amine has a molecular weight of 808.90 g/mol, XLogP of 8.70, 8 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]-1-[(3S)-oxolan-3-yl]pyrazolo[4,3-b]pyridin-7-amine;N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]-2-[(3S)-oxolan-3-yl]pyrazolo[4,3-b]pyridin-7-amine is sourced from PubChem (CID 160606577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).