1-methyl-8-(pyridin-3-ylmethylamino)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide

C17H17N7O — CID 45142015

IUPAC1-methyl-8-(pyridin-3-ylmethylamino)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESCn1nc(C(N)=O)c2c1-c1nc(NCc3cccnc3)ncc1CC2
InChIInChI=1S/C17H17N7O/c1-24-15-12(14(23-24)16(18)25)5-4-11-9-21-17(22-13(11)15)20-8-10-3-2-6-19-7-10/h2-3,6-7,9H,4-5,8H2,1H3,(H2,18,25)(H,20,21,22)
InChIKeyOPCCGXSXPYCKGR-UHFFFAOYSA-N
MW335.37 g/mol
LogP1.08
Rot. Bonds4

About 1-methyl-8-(pyridin-3-ylmethylamino)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide

1-methyl-8-(pyridin-3-ylmethylamino)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide (PubChem CID 45142015) has the molecular formula C17H17N7O and a molecular weight of 335.37 g/mol. Its IUPAC name is 1-methyl-8-(pyridin-3-ylmethylamino)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide.

Molecular Properties

Compound Name1-methyl-8-(pyridin-3-ylmethylamino)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
PubChem CID45142015
Molecular FormulaC17H17N7O
Molecular Weight335.37 g/mol
Exact Mass335.15
IUPAC Name1-methyl-8-(pyridin-3-ylmethylamino)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESCn1nc(C(N)=O)c2c1-c1nc(NCc3cccnc3)ncc1CC2
InChIInChI=1S/C17H17N7O/c1-24-15-12(14(23-24)16(18)25)5-4-11-9-21-17(22-13(11)15)20-8-10-3-2-6-19-7-10/h2-3,6-7,9H,4-5,8H2,1H3,(H2,18,25)(H,20,21,22)
InChIKeyOPCCGXSXPYCKGR-UHFFFAOYSA-N
XLogP1.08
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

8-(4-acetylanilino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
CID 46886959
ethyl 8-[3-(hydroxymethyl)anilino]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate
CID 68939279
1-methyl-8-(pyridin-2-ylamino)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide;1-methyl-8-(pyridin-2-ylamino)-4,5-dihydro-2H-pyrazolo[4,3-h]quinazolin-1-ium-3-carboxamide;chloride
CID 159971825
1,8-dimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate
CID 143697717
8-[(1-acetylpiperidin-4-yl)amino]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylic acid
CID 45141161
2-(benzylamino)-7-methyl-N-(pyridin-3-ylmethyl)-5,6-dihydrocyclopenta[d]pyrimidine-7-carboxamide
CID 134811259
1-[3-(dimethylamino)propyl]-8-methylsulfanyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
CID 57388887
5-amino-6-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 114405316
N-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109307168
ethyl 8-[2-methoxy-4-[(1-methylpiperidin-4-yl)carbamoyl]anilino]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate
CID 67203280
6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 79005962
1-methyl-3-N,5-N-bis(pyridin-3-ylmethyl)pyrazole-3,5-dicarboxamide
CID 29097126

Frequently Asked Questions

What is the IUPAC name of 1-methyl-8-(pyridin-3-ylmethylamino)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The IUPAC name of 1-methyl-8-(pyridin-3-ylmethylamino)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide (CID 45142015) is 1-methyl-8-(pyridin-3-ylmethylamino)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide.
What is the SMILES notation for 1-methyl-8-(pyridin-3-ylmethylamino)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The canonical SMILES for 1-methyl-8-(pyridin-3-ylmethylamino)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide is Cn1nc(C(N)=O)c2c1-c1nc(NCc3cccnc3)ncc1CC2.
What is the InChIKey of 1-methyl-8-(pyridin-3-ylmethylamino)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The InChIKey is OPCCGXSXPYCKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O/c1-24-15-12(14(23-24)16(18)25)5-4-11-9-21-17(22-13(11)15)20-8-10-3-2-6-19-7-10/h2-3,6-7,9H,4-5,8H2,1H3,(H2,18,25)(H,20,21,22).
What are the key properties of 1-methyl-8-(pyridin-3-ylmethylamino)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
1-methyl-8-(pyridin-3-ylmethylamino)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide has a molecular weight of 335.37 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-8-(pyridin-3-ylmethylamino)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide is sourced from PubChem (CID 45142015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).