4-[4-[6-(ethylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-3-fluoro-N-propan-2-ylbenzamide

C28H34FN7O2 — CID 138715429

IUPAC4-[4-[6-(ethylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-3-fluoro-N-propan-2-ylbenzamide
SMILESCCNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2ccc(C(=O)NC(C)C)cc2F)CC1
InChIInChI=1S/C28H34FN7O2/c1-5-30-26-13-24-22(15-31-26)27(19-14-32-35(4)16-19)34-36(24)20-7-9-21(10-8-20)38-25-11-6-18(12-23(25)29)28(37)33-17(2)3/h6,11-17,20-21H,5,7-10H2,1-4H3,(H,30,31)(H,33,37)
InChIKeyCPIJQYGEORDTME-UHFFFAOYSA-N
MW519.63 g/mol
LogP5.10
Rot. Bonds8

About 4-[4-[6-(ethylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-3-fluoro-N-propan-2-ylbenzamide

4-[4-[6-(ethylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-3-fluoro-N-propan-2-ylbenzamide (PubChem CID 138715429) has the molecular formula C28H34FN7O2 and a molecular weight of 519.63 g/mol. Its IUPAC name is 4-[4-[6-(ethylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-3-fluoro-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[4-[6-(ethylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-3-fluoro-N-propan-2-ylbenzamide
PubChem CID138715429
Molecular FormulaC28H34FN7O2
Molecular Weight519.63 g/mol
Exact Mass519.28
IUPAC Name4-[4-[6-(ethylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-3-fluoro-N-propan-2-ylbenzamide
SMILESCCNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2ccc(C(=O)NC(C)C)cc2F)CC1
InChIInChI=1S/C28H34FN7O2/c1-5-30-26-13-24-22(15-31-26)27(19-14-32-35(4)16-19)34-36(24)20-7-9-21(10-8-20)38-25-11-6-18(12-23(25)29)28(37)33-17(2)3/h6,11-17,20-21H,5,7-10H2,1-4H3,(H,30,31)(H,33,37)
InChIKeyCPIJQYGEORDTME-UHFFFAOYSA-N
XLogP5.10
TPSA98.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.63
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3-[3-[2-[4-[3-(diethylamino)propoxy]-3-fluoroanilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,6-difluorobenzamide
CID 44529362
2,6-difluoro-N-[3-[3-[2-[3-fluoro-4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide
CID 44529467
N-(2-{[(4-Ethoxyphenyl)carbonyl]amino}ethyl)-1-pyridin-2-yl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 46884950
N-{2-Fluoro-4-[2-(1-methyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl]-benzyl}-4-trifluoromethoxy-benzamide
CID 121249871
2-[(3S,4R)-3-fluoro-4-(1-methylindazol-5-yl)oxypiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 129277689
6-cyclopropyl-N-[2-(4-methylphenoxy)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 9357716
N-[(4-Ethoxyphenyl)methyl]-1-(4-fluorophenyl)-3-methyl-5-(1H-pyrrol-1-YL)-1H-pyrazole-4-carboxamide
CID 16022011
2-[2-(1-Methyl-1H-indol-3-YL)-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrimidin-4-YL]-N-{[4-(propan-2-yloxy)phenyl]methyl}acetamide
CID 16028941
4-methoxy-N-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)benzamide
CID 71601787
N-(2,5-diphenylpyrazolo[4,3-d]pyrimidin-7-yl)-4-methoxybenzamide
CID 71601932
4-[[2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]-N-phenylbenzamide
CID 72737416
N-[5-(4-methoxyphenyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl]benzamide
CID 127037422

Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-(ethylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-3-fluoro-N-propan-2-ylbenzamide?
The IUPAC name of 4-[4-[6-(ethylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-3-fluoro-N-propan-2-ylbenzamide (CID 138715429) is 4-[4-[6-(ethylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-3-fluoro-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[4-[6-(ethylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-3-fluoro-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[4-[6-(ethylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-3-fluoro-N-propan-2-ylbenzamide is CCNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2ccc(C(=O)NC(C)C)cc2F)CC1.
What is the InChIKey of 4-[4-[6-(ethylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-3-fluoro-N-propan-2-ylbenzamide?
The InChIKey is CPIJQYGEORDTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34FN7O2/c1-5-30-26-13-24-22(15-31-26)27(19-14-32-35(4)16-19)34-36(24)20-7-9-21(10-8-20)38-25-11-6-18(12-23(25)29)28(37)33-17(2)3/h6,11-17,20-21H,5,7-10H2,1-4H3,(H,30,31)(H,33,37).
What are the key properties of 4-[4-[6-(ethylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-3-fluoro-N-propan-2-ylbenzamide?
4-[4-[6-(ethylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-3-fluoro-N-propan-2-ylbenzamide has a molecular weight of 519.63 g/mol, XLogP of 5.10, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-(ethylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-3-fluoro-N-propan-2-ylbenzamide is sourced from PubChem (CID 138715429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).