8-anilino-1-(piperidin-4-ylmethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide

C22H25N7O — CID 46829289

IUPAC8-anilino-1-(piperidin-4-ylmethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESNC(=O)c1nn(CC2CCNCC2)c2c1CCc1cnc(Nc3ccccc3)nc1-2
InChIInChI=1S/C22H25N7O/c23-21(30)19-17-7-6-15-12-25-22(26-16-4-2-1-3-5-16)27-18(15)20(17)29(28-19)13-14-8-10-24-11-9-14/h1-5,12,14,24H,6-11,13H2,(H2,23,30)(H,25,26,27)
InChIKeyUOSAIBFGDGMQLI-UHFFFAOYSA-N
MW403.49 g/mol
LogP2.28
Rot. Bonds5

About 8-anilino-1-(piperidin-4-ylmethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide

8-anilino-1-(piperidin-4-ylmethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide (PubChem CID 46829289) has the molecular formula C22H25N7O and a molecular weight of 403.49 g/mol. Its IUPAC name is 8-anilino-1-(piperidin-4-ylmethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide.

Molecular Properties

Compound Name8-anilino-1-(piperidin-4-ylmethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
PubChem CID46829289
Molecular FormulaC22H25N7O
Molecular Weight403.49 g/mol
Exact Mass403.21
IUPAC Name8-anilino-1-(piperidin-4-ylmethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESNC(=O)c1nn(CC2CCNCC2)c2c1CCc1cnc(Nc3ccccc3)nc1-2
InChIInChI=1S/C22H25N7O/c23-21(30)19-17-7-6-15-12-25-22(26-16-4-2-1-3-5-16)27-18(15)20(17)29(28-19)13-14-8-10-24-11-9-14/h1-5,12,14,24H,6-11,13H2,(H2,23,30)(H,25,26,27)
InChIKeyUOSAIBFGDGMQLI-UHFFFAOYSA-N
XLogP2.28
TPSA110.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-anilino-1-(piperidin-4-ylmethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The IUPAC name of 8-anilino-1-(piperidin-4-ylmethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide (CID 46829289) is 8-anilino-1-(piperidin-4-ylmethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide.
What is the SMILES notation for 8-anilino-1-(piperidin-4-ylmethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The canonical SMILES for 8-anilino-1-(piperidin-4-ylmethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide is NC(=O)c1nn(CC2CCNCC2)c2c1CCc1cnc(Nc3ccccc3)nc1-2.
What is the InChIKey of 8-anilino-1-(piperidin-4-ylmethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The InChIKey is UOSAIBFGDGMQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O/c23-21(30)19-17-7-6-15-12-25-22(26-16-4-2-1-3-5-16)27-18(15)20(17)29(28-19)13-14-8-10-24-11-9-14/h1-5,12,14,24H,6-11,13H2,(H2,23,30)(H,25,26,27).
What are the key properties of 8-anilino-1-(piperidin-4-ylmethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
8-anilino-1-(piperidin-4-ylmethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide has a molecular weight of 403.49 g/mol, XLogP of 2.28, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-anilino-1-(piperidin-4-ylmethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide is sourced from PubChem (CID 46829289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).