N-[6-(5-fluoro-3-pyridinyl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide

C27H22FN7O2 — CID 122630518

IUPACN-[6-(5-fluoro-3-pyridinyl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(-c2cncc(F)c2)nc1)c1n[nH]c2ccc(-c3cncc(N4CCOCC4)c3)cc12
InChIInChI=1S/C27H22FN7O2/c28-20-9-19(13-29-14-20)24-4-2-21(15-31-24)32-27(36)26-23-11-17(1-3-25(23)33-34-26)18-10-22(16-30-12-18)35-5-7-37-8-6-35/h1-4,9-16H,5-8H2,(H,32,36)(H,33,34)
InChIKeyPUPYHIZYSHKCQN-UHFFFAOYSA-N
MW495.52 g/mol
LogP4.31
Rot. Bonds5

About N-[6-(5-fluoro-3-pyridinyl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide

N-[6-(5-fluoro-3-pyridinyl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 122630518) has the molecular formula C27H22FN7O2 and a molecular weight of 495.52 g/mol. Its IUPAC name is N-[6-(5-fluoro-3-pyridinyl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[6-(5-fluoro-3-pyridinyl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide
PubChem CID122630518
Molecular FormulaC27H22FN7O2
Molecular Weight495.52 g/mol
Exact Mass495.18
IUPAC NameN-[6-(5-fluoro-3-pyridinyl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(-c2cncc(F)c2)nc1)c1n[nH]c2ccc(-c3cncc(N4CCOCC4)c3)cc12
InChIInChI=1S/C27H22FN7O2/c28-20-9-19(13-29-14-20)24-4-2-21(15-31-24)32-27(36)26-23-11-17(1-3-25(23)33-34-26)18-10-22(16-30-12-18)35-5-7-37-8-6-35/h1-4,9-16H,5-8H2,(H,32,36)(H,33,34)
InChIKeyPUPYHIZYSHKCQN-UHFFFAOYSA-N
XLogP4.31
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.52
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[6-(5-fluoro-3-pyridinyl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-(6-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89458694
N-(5-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381061
3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-N-(2-morpholinoethyl)-1H-pyrazole-5-carboxamide
CID 15958787
N-[4-(morpholin-4-ylmethyl)phenyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 5309237
2-morpholin-1-yl-N-{4-[4-(3-pyridin-2-yl-1H-pyrazol-4-yl)-pyridin-2-yl]phenyl}acetamide
CID 10158539
1-[4-[4-[4-[2-(1H-indazol-5-yl)-6-phenylpyridine-4-carbonyl]piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 49798426
N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-5-(pyridin-3-yl)-1H-indazole-3-carboxamide
CID 71714628
2-fluoro-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]-4-morpholin-4-ylbenzamide
CID 72705460
N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-5-(6-methylpyridin-3-yl)-1H-indazole-3-carboxamide
CID 89777948
N-[(S)-cyclopentyl(pyridin-2-yl)methyl]-3-[4-(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)phenyl]-1H-indazole-5-carboxamide
CID 117751336
N-(oxan-4-ylmethyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 146241690
5-(5-(3,3-dimethylureido)pyridin-3-yl)-N-(pyridin-3-yl)-1H-indazole-3-carboxamide
CID 86679697

Frequently Asked Questions

What is the IUPAC name of N-[6-(5-fluoro-3-pyridinyl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide?
The IUPAC name of N-[6-(5-fluoro-3-pyridinyl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide (CID 122630518) is N-[6-(5-fluoro-3-pyridinyl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[6-(5-fluoro-3-pyridinyl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-[6-(5-fluoro-3-pyridinyl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide is O=C(Nc1ccc(-c2cncc(F)c2)nc1)c1n[nH]c2ccc(-c3cncc(N4CCOCC4)c3)cc12.
What is the InChIKey of N-[6-(5-fluoro-3-pyridinyl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide?
The InChIKey is PUPYHIZYSHKCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22FN7O2/c28-20-9-19(13-29-14-20)24-4-2-21(15-31-24)32-27(36)26-23-11-17(1-3-25(23)33-34-26)18-10-22(16-30-12-18)35-5-7-37-8-6-35/h1-4,9-16H,5-8H2,(H,32,36)(H,33,34).
What are the key properties of N-[6-(5-fluoro-3-pyridinyl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide?
N-[6-(5-fluoro-3-pyridinyl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide has a molecular weight of 495.52 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-fluoro-3-pyridinyl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 122630518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).