N-[5-[3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]benzamide

C32H24FN9O3S — CID 136946025

IUPACN-[5-[3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]benzamide
SMILESCS(=O)(=O)NCC1=CC(=CC(=C1)F)C2=C3C(=NC=C2)NC(=N3)C4=NNC5=C4C=C(C=N5)C6=CC(=CN=C6)NC(=O)C7=CC=CC=C7
InChIInChI=1S/C32H24FN9O3S/c1-46(44,45)37-14-18-9-20(11-23(33)10-18)25-7-8-35-30-27(25)39-31(40-30)28-26-13-22(16-36-29(26)42-41-28)21-12-24(17-34-15-21)38-32(43)19-5-3-2-4-6-19/h2-13,15-17,37H,14H2,1H3,(H,38,43)(H,35,39,40)(H,36,41,42)
InChIKeyXMUXRQSVFVAGHM-UHFFFAOYSA-N
MW633.70 g/mol
LogP3.40
Rot. Bonds8

About N-[5-[3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]benzamide

N-[5-[3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]benzamide (PubChem CID 136946025) has the molecular formula C32H24FN9O3S and a molecular weight of 633.70 g/mol. Its IUPAC name is N-[5-[3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[5-[3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]benzamide
PubChem CID136946025
Molecular FormulaC32H24FN9O3S
Molecular Weight633.70 g/mol
Exact Mass633.17
IUPAC NameN-[5-[3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]benzamide
SMILESCS(=O)(=O)NCC1=CC(=CC(=C1)F)C2=C3C(=NC=C2)NC(=N3)C4=NNC5=C4C=C(C=N5)C6=CC(=CN=C6)NC(=O)C7=CC=CC=C7
InChIInChI=1S/C32H24FN9O3S/c1-46(44,45)37-14-18-9-20(11-23(33)10-18)25-7-8-35-30-27(25)39-31(40-30)28-26-13-22(16-36-29(26)42-41-28)21-12-24(17-34-15-21)38-32(43)19-5-3-2-4-6-19/h2-13,15-17,37H,14H2,1H3,(H,38,43)(H,35,39,40)(H,36,41,42)
InChIKeyXMUXRQSVFVAGHM-UHFFFAOYSA-N
XLogP3.40
TPSA180.00 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms46
Complexity1160

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500633.70
LogP ≤ 53.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze N-[5-[3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]benzamide?
The IUPAC name of N-[5-[3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]benzamide (CID 136946025) is N-[5-[3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]benzamide.
What is the SMILES notation for N-[5-[3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]benzamide?
The canonical SMILES for N-[5-[3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]benzamide is CS(=O)(=O)NCC1=CC(=CC(=C1)F)C2=C3C(=NC=C2)NC(=N3)C4=NNC5=C4C=C(C=N5)C6=CC(=CN=C6)NC(=O)C7=CC=CC=C7.
What is the InChIKey of N-[5-[3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]benzamide?
The InChIKey is XMUXRQSVFVAGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24FN9O3S/c1-46(44,45)37-14-18-9-20(11-23(33)10-18)25-7-8-35-30-27(25)39-31(40-30)28-26-13-22(16-36-29(26)42-41-28)21-12-24(17-34-15-21)38-32(43)19-5-3-2-4-6-19/h2-13,15-17,37H,14H2,1H3,(H,38,43)(H,35,39,40)(H,36,41,42).
What are the key properties of N-[5-[3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]benzamide?
N-[5-[3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]benzamide has a molecular weight of 633.70 g/mol, XLogP of 3.40, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 136946025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).