N-[5-[7-fluoro-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide

C28H21FN8O — CID 136935635

IUPACN-[5-[7-fluoro-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide
SMILESO=C(Nc1cncc(-c2cc(F)c3n[nH]c(-c4nc5c(-c6ccncc6)nccc5[nH]4)c3c2)c1)C1CCC1
InChIInChI=1S/C28H21FN8O/c29-21-12-17(18-10-19(14-31-13-18)33-28(38)16-2-1-3-16)11-20-24(21)36-37-25(20)27-34-22-6-9-32-23(26(22)35-27)15-4-7-30-8-5-15/h4-14,16H,1-3H2,(H,33,38)(H,34,35)(H,36,37)
InChIKeyAOWZFBUGTDJWDL-UHFFFAOYSA-N
MW504.53 g/mol
LogP5.50
Rot. Bonds5

About N-[5-[7-fluoro-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide

N-[5-[7-fluoro-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide (PubChem CID 136935635) has the molecular formula C28H21FN8O and a molecular weight of 504.53 g/mol. Its IUPAC name is N-[5-[7-fluoro-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[5-[7-fluoro-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide
PubChem CID136935635
Molecular FormulaC28H21FN8O
Molecular Weight504.53 g/mol
Exact Mass504.18
IUPAC NameN-[5-[7-fluoro-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide
SMILESO=C(Nc1cncc(-c2cc(F)c3n[nH]c(-c4nc5c(-c6ccncc6)nccc5[nH]4)c3c2)c1)C1CCC1
InChIInChI=1S/C28H21FN8O/c29-21-12-17(18-10-19(14-31-13-18)33-28(38)16-2-1-3-16)11-20-24(21)36-37-25(20)27-34-22-6-9-32-23(26(22)35-27)15-4-7-30-8-5-15/h4-14,16H,1-3H2,(H,33,38)(H,34,35)(H,36,37)
InChIKeyAOWZFBUGTDJWDL-UHFFFAOYSA-N
XLogP5.50
TPSA125.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.53
LogP ≤ 55.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[5-[7-fluoro-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide with MolForge

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Related Compounds

N-[5-[7-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 136935779
N-[5-[7-fluoro-3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 136935685
N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 136935892
N-[5-[3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide
CID 137019282
N-[5-[3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide
CID 136944797
N-[5-[7-fluoro-3-(1H-imidazo[4,5-b]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 137134469
N-[5-[3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide
CID 137312204
N-[5-[3-[4-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 136945939
N-[5-[7-fluoro-3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 137284023
N-[5-[7-fluoro-3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 137134319
N-[5-[3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 136943449
N-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 136946338

Frequently Asked Questions

What is the IUPAC name of N-[5-[7-fluoro-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide?
The IUPAC name of N-[5-[7-fluoro-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide (CID 136935635) is N-[5-[7-fluoro-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[5-[7-fluoro-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide?
The canonical SMILES for N-[5-[7-fluoro-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide is O=C(Nc1cncc(-c2cc(F)c3n[nH]c(-c4nc5c(-c6ccncc6)nccc5[nH]4)c3c2)c1)C1CCC1.
What is the InChIKey of N-[5-[7-fluoro-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide?
The InChIKey is AOWZFBUGTDJWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21FN8O/c29-21-12-17(18-10-19(14-31-13-18)33-28(38)16-2-1-3-16)11-20-24(21)36-37-25(20)27-34-22-6-9-32-23(26(22)35-27)15-4-7-30-8-5-15/h4-14,16H,1-3H2,(H,33,38)(H,34,35)(H,36,37).
What are the key properties of N-[5-[7-fluoro-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide?
N-[5-[7-fluoro-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide has a molecular weight of 504.53 g/mol, XLogP of 5.50, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[7-fluoro-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide is sourced from PubChem (CID 136935635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).