1-methyl-8-[(1-methylpiperidin-4-yl)amino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide

C17H23N7O — CID 45139798

IUPAC1-methyl-8-[(1-methylpiperidin-4-yl)amino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESCN1CCC(Nc2ncc3c(n2)-c2c(c(C(N)=O)nn2C)CC3)CC1
InChIInChI=1S/C17H23N7O/c1-23-7-5-11(6-8-23)20-17-19-9-10-3-4-12-14(16(18)25)22-24(2)15(12)13(10)21-17/h9,11H,3-8H2,1-2H3,(H2,18,25)(H,19,20,21)
InChIKeyVEQZWOXFCXFUCF-UHFFFAOYSA-N
MW341.42 g/mol
LogP0.58
Rot. Bonds3

About 1-methyl-8-[(1-methylpiperidin-4-yl)amino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide

1-methyl-8-[(1-methylpiperidin-4-yl)amino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide (PubChem CID 45139798) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is 1-methyl-8-[(1-methylpiperidin-4-yl)amino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide.

Molecular Properties

Compound Name1-methyl-8-[(1-methylpiperidin-4-yl)amino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
PubChem CID45139798
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC Name1-methyl-8-[(1-methylpiperidin-4-yl)amino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESCN1CCC(Nc2ncc3c(n2)-c2c(c(C(N)=O)nn2C)CC3)CC1
InChIInChI=1S/C17H23N7O/c1-23-7-5-11(6-8-23)20-17-19-9-10-3-4-12-14(16(18)25)22-24(2)15(12)13(10)21-17/h9,11H,3-8H2,1-2H3,(H2,18,25)(H,19,20,21)
InChIKeyVEQZWOXFCXFUCF-UHFFFAOYSA-N
XLogP0.58
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-8-[(1-methylpiperidin-4-yl)amino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The IUPAC name of 1-methyl-8-[(1-methylpiperidin-4-yl)amino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide (CID 45139798) is 1-methyl-8-[(1-methylpiperidin-4-yl)amino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide.
What is the SMILES notation for 1-methyl-8-[(1-methylpiperidin-4-yl)amino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The canonical SMILES for 1-methyl-8-[(1-methylpiperidin-4-yl)amino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide is CN1CCC(Nc2ncc3c(n2)-c2c(c(C(N)=O)nn2C)CC3)CC1.
What is the InChIKey of 1-methyl-8-[(1-methylpiperidin-4-yl)amino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The InChIKey is VEQZWOXFCXFUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O/c1-23-7-5-11(6-8-23)20-17-19-9-10-3-4-12-14(16(18)25)22-24(2)15(12)13(10)21-17/h9,11H,3-8H2,1-2H3,(H2,18,25)(H,19,20,21).
What are the key properties of 1-methyl-8-[(1-methylpiperidin-4-yl)amino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
1-methyl-8-[(1-methylpiperidin-4-yl)amino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-8-[(1-methylpiperidin-4-yl)amino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide is sourced from PubChem (CID 45139798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).