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

C27H22FN7OS — CID 136935757

IUPACN-[5-[7-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]pentanamide
SMILESCCCCC(=O)Nc1cncc(-c2cc(F)c3n[nH]c(-c4nc5c(-c6ccsc6)nccc5[nH]4)c3c2)c1
InChIInChI=1S/C27H22FN7OS/c1-2-3-4-22(36)31-18-9-17(12-29-13-18)16-10-19-24(20(28)11-16)34-35-25(19)27-32-21-5-7-30-23(26(21)33-27)15-6-8-37-14-15/h5-14H,2-4H2,1H3,(H,31,36)(H,32,33)(H,34,35)
InChIKeyJZKXMDHIOSHZJZ-UHFFFAOYSA-N
MW511.59 g/mol
LogP6.56
Rot. Bonds7

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

N-[5-[7-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]pentanamide (PubChem CID 136935757) has the molecular formula C27H22FN7OS and a molecular weight of 511.59 g/mol. Its IUPAC name is N-[5-[7-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]pentanamide.

Molecular Properties

Compound NameN-[5-[7-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]pentanamide
PubChem CID136935757
Molecular FormulaC27H22FN7OS
Molecular Weight511.59 g/mol
Exact Mass511.16
IUPAC NameN-[5-[7-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]pentanamide
SMILESCCCCC(=O)Nc1cncc(-c2cc(F)c3n[nH]c(-c4nc5c(-c6ccsc6)nccc5[nH]4)c3c2)c1
InChIInChI=1S/C27H22FN7OS/c1-2-3-4-22(36)31-18-9-17(12-29-13-18)16-10-19-24(20(28)11-16)34-35-25(19)27-32-21-5-7-30-23(26(21)33-27)15-6-8-37-14-15/h5-14H,2-4H2,1H3,(H,31,36)(H,32,33)(H,34,35)
InChIKeyJZKXMDHIOSHZJZ-UHFFFAOYSA-N
XLogP6.56
TPSA112.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.59
LogP ≤ 56.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[7-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]pentanamide?
The IUPAC name of N-[5-[7-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]pentanamide (CID 136935757) is N-[5-[7-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]pentanamide.
What is the SMILES notation for N-[5-[7-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]pentanamide?
The canonical SMILES for N-[5-[7-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]pentanamide is CCCCC(=O)Nc1cncc(-c2cc(F)c3n[nH]c(-c4nc5c(-c6ccsc6)nccc5[nH]4)c3c2)c1.
What is the InChIKey of N-[5-[7-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]pentanamide?
The InChIKey is JZKXMDHIOSHZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22FN7OS/c1-2-3-4-22(36)31-18-9-17(12-29-13-18)16-10-19-24(20(28)11-16)34-35-25(19)27-32-21-5-7-30-23(26(21)33-27)15-6-8-37-14-15/h5-14H,2-4H2,1H3,(H,31,36)(H,32,33)(H,34,35).
What are the key properties of N-[5-[7-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]pentanamide?
N-[5-[7-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]pentanamide has a molecular weight of 511.59 g/mol, XLogP of 6.56, 7 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-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]pentanamide is sourced from PubChem (CID 136935757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).