N-[5-[3-(4-oxo-3H-quinazolin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide

C24H18N6O2 — CID 174201584

IUPACN-[5-[3-(4-oxo-3H-quinazolin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1cncc(-c2ccc3[nH]nc(-c4nc5ccccc5c(=O)[nH]4)c3c2)c1)C1CC1
InChIInChI=1S/C24H18N6O2/c31-23(13-5-6-13)26-16-9-15(11-25-12-16)14-7-8-20-18(10-14)21(30-29-20)22-27-19-4-2-1-3-17(19)24(32)28-22/h1-4,7-13H,5-6H2,(H,26,31)(H,29,30)(H,27,28,32)
InChIKeyBMJJWBBSZMGJOI-UHFFFAOYSA-N
MW422.45 g/mol
LogP3.88
Rot. Bonds4

About N-[5-[3-(4-oxo-3H-quinazolin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide

N-[5-[3-(4-oxo-3H-quinazolin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide (PubChem CID 174201584) has the molecular formula C24H18N6O2 and a molecular weight of 422.45 g/mol. Its IUPAC name is N-[5-[3-(4-oxo-3H-quinazolin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[3-(4-oxo-3H-quinazolin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide
PubChem CID174201584
Molecular FormulaC24H18N6O2
Molecular Weight422.45 g/mol
Exact Mass422.15
IUPAC NameN-[5-[3-(4-oxo-3H-quinazolin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1cncc(-c2ccc3[nH]nc(-c4nc5ccccc5c(=O)[nH]4)c3c2)c1)C1CC1
InChIInChI=1S/C24H18N6O2/c31-23(13-5-6-13)26-16-9-15(11-25-12-16)14-7-8-20-18(10-14)21(30-29-20)22-27-19-4-2-1-3-17(19)24(32)28-22/h1-4,7-13H,5-6H2,(H,26,31)(H,29,30)(H,27,28,32)
InChIKeyBMJJWBBSZMGJOI-UHFFFAOYSA-N
XLogP3.88
TPSA116.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 137014609
N-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide
CID 136509566
N-[5-[3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 137019311
N-[5-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 136943622
N-[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 136509111
N-[5-[3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 136509153
N-[5-[3-[7-(2,3-dihydrofuran-4-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 137300284
N-[5-[3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 136509597
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-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide
CID 136643374
N-[5-[3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 136509595
N-[5-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 136643030

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(4-oxo-3H-quinazolin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[3-(4-oxo-3H-quinazolin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide (CID 174201584) is N-[5-[3-(4-oxo-3H-quinazolin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[3-(4-oxo-3H-quinazolin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[3-(4-oxo-3H-quinazolin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide is O=C(Nc1cncc(-c2ccc3[nH]nc(-c4nc5ccccc5c(=O)[nH]4)c3c2)c1)C1CC1.
What is the InChIKey of N-[5-[3-(4-oxo-3H-quinazolin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide?
The InChIKey is BMJJWBBSZMGJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N6O2/c31-23(13-5-6-13)26-16-9-15(11-25-12-16)14-7-8-20-18(10-14)21(30-29-20)22-27-19-4-2-1-3-17(19)24(32)28-22/h1-4,7-13H,5-6H2,(H,26,31)(H,29,30)(H,27,28,32).
What are the key properties of N-[5-[3-(4-oxo-3H-quinazolin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide?
N-[5-[3-(4-oxo-3H-quinazolin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide has a molecular weight of 422.45 g/mol, XLogP of 3.88, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(4-oxo-3H-quinazolin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 174201584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).