N-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide

C19H18N6O2 — CID 136538485

IUPACN-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
SMILESCn1ncc2c(NC(=O)CCCc3nc4ccccc4c(=O)[nH]3)ccnc21
InChIInChI=1S/C19H18N6O2/c1-25-18-13(11-21-25)15(9-10-20-18)23-17(26)8-4-7-16-22-14-6-3-2-5-12(14)19(27)24-16/h2-3,5-6,9-11H,4,7-8H2,1H3,(H,20,23,26)(H,22,24,27)
InChIKeySBOCSTJOTFMSRH-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.17
Rot. Bonds5

About N-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide

N-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide (PubChem CID 136538485) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide.

Molecular Properties

Compound NameN-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
PubChem CID136538485
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC NameN-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
SMILESCn1ncc2c(NC(=O)CCCc3nc4ccccc4c(=O)[nH]3)ccnc21
InChIInChI=1S/C19H18N6O2/c1-25-18-13(11-21-25)15(9-10-20-18)23-17(26)8-4-7-16-22-14-6-3-2-5-12(14)19(27)24-16/h2-3,5-6,9-11H,4,7-8H2,1H3,(H,20,23,26)(H,22,24,27)
InChIKeySBOCSTJOTFMSRH-UHFFFAOYSA-N
XLogP2.17
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,6-dimethylphenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135848488
4-(4-oxo-3H-quinazolin-2-yl)-N-quinolin-3-ylbutanamide
CID 135939873
N-(3-fluorophenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135756626
4-(4-oxo-3H-quinazolin-2-yl)-N-(3-propan-2-ylphenyl)butanamide
CID 135888514
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137276068
N-[(2S)-1-aminopropan-2-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137024790
4-(4-oxo-3H-quinazolin-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]butanamide
CID 135675737
4-bromo-1-methyl-N'-[4-(4-oxo-3H-quinazolin-2-yl)butanoyl]pyrrole-2-carbohydrazide
CID 137282919
N-(5-methyl-1,3-thiazol-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135819555
N-[6-(dimethylamino)-3-pyridinyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135570381
N-(3-aminopropyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide;hydrochloride
CID 137098154
N-(3-hydroxy-2-pyridinyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135711256

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The IUPAC name of N-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide (CID 136538485) is N-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide.
What is the SMILES notation for N-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The canonical SMILES for N-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide is Cn1ncc2c(NC(=O)CCCc3nc4ccccc4c(=O)[nH]3)ccnc21.
What is the InChIKey of N-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The InChIKey is SBOCSTJOTFMSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2/c1-25-18-13(11-21-25)15(9-10-20-18)23-17(26)8-4-7-16-22-14-6-3-2-5-12(14)19(27)24-16/h2-3,5-6,9-11H,4,7-8H2,1H3,(H,20,23,26)(H,22,24,27).
What are the key properties of N-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
N-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide has a molecular weight of 362.39 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide is sourced from PubChem (CID 136538485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).