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

C27H21F2N7OS — CID 136935824

IUPACN-[5-[7-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1cncc(-c2cc(F)c3n[nH]c(-c4nc5c(-c6ccc(F)s6)nccc5[nH]4)c3c2)c1
InChIInChI=1S/C27H21F2N7OS/c1-13(2)7-22(37)32-16-8-15(11-30-12-16)14-9-17-23(18(28)10-14)35-36-24(17)27-33-19-5-6-31-26(25(19)34-27)20-3-4-21(29)38-20/h3-6,8-13H,7H2,1-2H3,(H,32,37)(H,33,34)(H,35,36)
InChIKeyCPZPELTUDKQOHK-UHFFFAOYSA-N
MW529.58 g/mol
LogP6.55
Rot. Bonds6

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

N-[5-[7-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide (PubChem CID 136935824) has the molecular formula C27H21F2N7OS and a molecular weight of 529.58 g/mol. Its IUPAC name is N-[5-[7-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[5-[7-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide
PubChem CID136935824
Molecular FormulaC27H21F2N7OS
Molecular Weight529.58 g/mol
Exact Mass529.15
IUPAC NameN-[5-[7-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1cncc(-c2cc(F)c3n[nH]c(-c4nc5c(-c6ccc(F)s6)nccc5[nH]4)c3c2)c1
InChIInChI=1S/C27H21F2N7OS/c1-13(2)7-22(37)32-16-8-15(11-30-12-16)14-9-17-23(18(28)10-14)35-36-24(17)27-33-19-5-6-31-26(25(19)34-27)20-3-4-21(29)38-20/h3-6,8-13H,7H2,1-2H3,(H,32,37)(H,33,34)(H,35,36)
InChIKeyCPZPELTUDKQOHK-UHFFFAOYSA-N
XLogP6.55
TPSA112.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.58
LogP ≤ 56.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-[7-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide?
The IUPAC name of N-[5-[7-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide (CID 136935824) is N-[5-[7-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide.
What is the SMILES notation for N-[5-[7-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide?
The canonical SMILES for N-[5-[7-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide is CC(C)CC(=O)Nc1cncc(-c2cc(F)c3n[nH]c(-c4nc5c(-c6ccc(F)s6)nccc5[nH]4)c3c2)c1.
What is the InChIKey of N-[5-[7-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide?
The InChIKey is CPZPELTUDKQOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F2N7OS/c1-13(2)7-22(37)32-16-8-15(11-30-12-16)14-9-17-23(18(28)10-14)35-36-24(17)27-33-19-5-6-31-26(25(19)34-27)20-3-4-21(29)38-20/h3-6,8-13H,7H2,1-2H3,(H,32,37)(H,33,34)(H,35,36).
What are the key properties of N-[5-[7-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide?
N-[5-[7-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide has a molecular weight of 529.58 g/mol, XLogP of 6.55, 6 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-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide is sourced from PubChem (CID 136935824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).