N-[1-(fluoromethyl)-2-oxo-3-pyridinyl]-2-[4-[[(2R)-2-hydroxypropanoyl]-methylamino]cyclohexyl]-6-methoxyindazole-5-carboxamide

C25H30FN5O5 — CID 169132465

IUPACN-[1-(fluoromethyl)-2-oxo-3-pyridinyl]-2-[4-[[(2R)-2-hydroxypropanoyl]-methylamino]cyclohexyl]-6-methoxyindazole-5-carboxamide
SMILESCOc1cc2nn(C3CCC(N(C)C(=O)[C@@H](C)O)CC3)cc2cc1C(=O)Nc1cccn(CF)c1=O
InChIInChI=1S/C25H30FN5O5/c1-15(32)24(34)29(2)17-6-8-18(9-7-17)31-13-16-11-19(22(36-3)12-21(16)28-31)23(33)27-20-5-4-10-30(14-26)25(20)35/h4-5,10-13,15,17-18,32H,6-9,14H2,1-3H3,(H,27,33)/t15-,17?,18?/m1/s1
InChIKeyYNFDUKFTZGITTE-FAEJEUNOSA-N
MW499.54 g/mol
LogP2.71
Rot. Bonds7

About N-[1-(fluoromethyl)-2-oxo-3-pyridinyl]-2-[4-[[(2R)-2-hydroxypropanoyl]-methylamino]cyclohexyl]-6-methoxyindazole-5-carboxamide

N-[1-(fluoromethyl)-2-oxo-3-pyridinyl]-2-[4-[[(2R)-2-hydroxypropanoyl]-methylamino]cyclohexyl]-6-methoxyindazole-5-carboxamide (PubChem CID 169132465) has the molecular formula C25H30FN5O5 and a molecular weight of 499.54 g/mol. Its IUPAC name is N-[1-(fluoromethyl)-2-oxo-3-pyridinyl]-2-[4-[[(2R)-2-hydroxypropanoyl]-methylamino]cyclohexyl]-6-methoxyindazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(fluoromethyl)-2-oxo-3-pyridinyl]-2-[4-[[(2R)-2-hydroxypropanoyl]-methylamino]cyclohexyl]-6-methoxyindazole-5-carboxamide
PubChem CID169132465
Molecular FormulaC25H30FN5O5
Molecular Weight499.54 g/mol
Exact Mass499.22
IUPAC NameN-[1-(fluoromethyl)-2-oxo-3-pyridinyl]-2-[4-[[(2R)-2-hydroxypropanoyl]-methylamino]cyclohexyl]-6-methoxyindazole-5-carboxamide
SMILESCOc1cc2nn(C3CCC(N(C)C(=O)[C@@H](C)O)CC3)cc2cc1C(=O)Nc1cccn(CF)c1=O
InChIInChI=1S/C25H30FN5O5/c1-15(32)24(34)29(2)17-6-8-18(9-7-17)31-13-16-11-19(22(36-3)12-21(16)28-31)23(33)27-20-5-4-10-30(14-26)25(20)35/h4-5,10-13,15,17-18,32H,6-9,14H2,1-3H3,(H,27,33)/t15-,17?,18?/m1/s1
InChIKeyYNFDUKFTZGITTE-FAEJEUNOSA-N
XLogP2.71
TPSA118.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.54
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-[[(2R)-2-hydroxypropanoyl]-methylamino]cyclohexyl]-6-methoxy-N-(1-methyl-2-oxo-3-pyridinyl)indazole-5-carboxamide
CID 170227651
tert-butyl N-[4-[6-methoxy-5-[(1-methyl-2-oxo-3-pyridinyl)carbamoyl]indazol-2-yl]cyclohexyl]-N-methylcarbamate
CID 170227634
2-[4-[[(2S)-2-hydroxypropanoyl]-methylamino]cyclohexyl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide
CID 163396505
2-[4-[2-(1-hydroxyethyl)imidazol-1-yl]cyclohexyl]-6-methoxy-N-(1-methyl-2-oxo-3-pyridinyl)indazole-5-carboxamide
CID 170227839
6-methoxy-N-(1-methyl-2-oxo-3-pyridinyl)-2-[4-(2-oxo-1-pyridinyl)cyclohexyl]indazole-5-carboxamide
CID 170227781
[4-[6-methoxy-5-[(1-methyl-2-oxo-3-pyridinyl)carbamoyl]indazol-2-yl]cyclohexyl]methyl N-methylcarbamate
CID 169132492
2-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]benzamide
CID 167156352
[(2S)-1-[[4-[5-(imidazo[1,2-b]pyridazin-3-ylcarbamoyl)-6-methoxyindazol-2-yl]cyclohexyl]-methylamino]-1-oxopropan-2-yl] acetate
CID 175741824
tert-butyl N-[4-[6-methoxy-5-(pyrazolo[1,5-c]pyrimidin-3-ylcarbamoyl)indazol-2-yl]cyclohexyl]-N-methylcarbamate
CID 164791971
3-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide
CID 155448904
4-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]benzamide
CID 167375489
N-(1-cyclopropyl-2-oxo-3-pyridinyl)-6-cyclopropyloxy-2-(4-propylcyclohexyl)indazole-5-carboxamide
CID 177065400

Frequently Asked Questions

What is the IUPAC name of N-[1-(fluoromethyl)-2-oxo-3-pyridinyl]-2-[4-[[(2R)-2-hydroxypropanoyl]-methylamino]cyclohexyl]-6-methoxyindazole-5-carboxamide?
The IUPAC name of N-[1-(fluoromethyl)-2-oxo-3-pyridinyl]-2-[4-[[(2R)-2-hydroxypropanoyl]-methylamino]cyclohexyl]-6-methoxyindazole-5-carboxamide (CID 169132465) is N-[1-(fluoromethyl)-2-oxo-3-pyridinyl]-2-[4-[[(2R)-2-hydroxypropanoyl]-methylamino]cyclohexyl]-6-methoxyindazole-5-carboxamide.
What is the SMILES notation for N-[1-(fluoromethyl)-2-oxo-3-pyridinyl]-2-[4-[[(2R)-2-hydroxypropanoyl]-methylamino]cyclohexyl]-6-methoxyindazole-5-carboxamide?
The canonical SMILES for N-[1-(fluoromethyl)-2-oxo-3-pyridinyl]-2-[4-[[(2R)-2-hydroxypropanoyl]-methylamino]cyclohexyl]-6-methoxyindazole-5-carboxamide is COc1cc2nn(C3CCC(N(C)C(=O)[C@@H](C)O)CC3)cc2cc1C(=O)Nc1cccn(CF)c1=O.
What is the InChIKey of N-[1-(fluoromethyl)-2-oxo-3-pyridinyl]-2-[4-[[(2R)-2-hydroxypropanoyl]-methylamino]cyclohexyl]-6-methoxyindazole-5-carboxamide?
The InChIKey is YNFDUKFTZGITTE-FAEJEUNOSA-N. The full InChI is InChI=1S/C25H30FN5O5/c1-15(32)24(34)29(2)17-6-8-18(9-7-17)31-13-16-11-19(22(36-3)12-21(16)28-31)23(33)27-20-5-4-10-30(14-26)25(20)35/h4-5,10-13,15,17-18,32H,6-9,14H2,1-3H3,(H,27,33)/t15-,17?,18?/m1/s1.
What are the key properties of N-[1-(fluoromethyl)-2-oxo-3-pyridinyl]-2-[4-[[(2R)-2-hydroxypropanoyl]-methylamino]cyclohexyl]-6-methoxyindazole-5-carboxamide?
N-[1-(fluoromethyl)-2-oxo-3-pyridinyl]-2-[4-[[(2R)-2-hydroxypropanoyl]-methylamino]cyclohexyl]-6-methoxyindazole-5-carboxamide has a molecular weight of 499.54 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(fluoromethyl)-2-oxo-3-pyridinyl]-2-[4-[[(2R)-2-hydroxypropanoyl]-methylamino]cyclohexyl]-6-methoxyindazole-5-carboxamide is sourced from PubChem (CID 169132465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).