N-[5-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide

C25H18N8OS — CID 137055219

IUPACN-[5-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1cncc(-c2cc3c(-c4nc5c(-c6cccs6)nccc5[nH]4)n[nH]c3cn2)c1)C1CC1
InChIInChI=1S/C25H18N8OS/c34-25(13-3-4-13)29-15-8-14(10-26-11-15)18-9-16-19(12-28-18)32-33-21(16)24-30-17-5-6-27-23(22(17)31-24)20-2-1-7-35-20/h1-2,5-13H,3-4H2,(H,29,34)(H,30,31)(H,32,33)
InChIKeyPYTFXBCBOPJOIW-UHFFFAOYSA-N
MW478.54 g/mol
LogP5.04
Rot. Bonds5

About N-[5-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide

N-[5-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide (PubChem CID 137055219) has the molecular formula C25H18N8OS and a molecular weight of 478.54 g/mol. Its IUPAC name is N-[5-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
PubChem CID137055219
Molecular FormulaC25H18N8OS
Molecular Weight478.54 g/mol
Exact Mass478.13
IUPAC NameN-[5-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1cncc(-c2cc3c(-c4nc5c(-c6cccs6)nccc5[nH]4)n[nH]c3cn2)c1)C1CC1
InChIInChI=1S/C25H18N8OS/c34-25(13-3-4-13)29-15-8-14(10-26-11-15)18-9-16-19(12-28-18)32-33-21(16)24-30-17-5-6-27-23(22(17)31-24)20-2-1-7-35-20/h1-2,5-13H,3-4H2,(H,29,34)(H,30,31)(H,32,33)
InChIKeyPYTFXBCBOPJOIW-UHFFFAOYSA-N
XLogP5.04
TPSA125.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.54
LogP ≤ 55.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide (CID 137055219) is N-[5-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide is O=C(Nc1cncc(-c2cc3c(-c4nc5c(-c6cccs6)nccc5[nH]4)n[nH]c3cn2)c1)C1CC1.
What is the InChIKey of N-[5-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide?
The InChIKey is PYTFXBCBOPJOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N8OS/c34-25(13-3-4-13)29-15-8-14(10-26-11-15)18-9-16-19(12-28-18)32-33-21(16)24-30-17-5-6-27-23(22(17)31-24)20-2-1-7-35-20/h1-2,5-13H,3-4H2,(H,29,34)(H,30,31)(H,32,33).
What are the key properties of N-[5-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide?
N-[5-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide has a molecular weight of 478.54 g/mol, XLogP of 5.04, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 137055219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).