8-amino-N-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide;dihydrochloride

C24H32Cl2N8O — CID 153487749

IUPAC8-amino-N-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide;dihydrochloride
SMILESCC1(C)Cc2cnc(N)nc2-c2n[nH]c(C(=O)Nc3ccc(CN4CCC(N)CC4)cc3)c21.Cl.Cl
InChIInChI=1S/C24H30N8O.2ClH/c1-24(2)11-15-12-27-23(26)29-19(15)20-18(24)21(31-30-20)22(33)28-17-5-3-14(4-6-17)13-32-9-7-16(25)8-10-32;;/h3-6,12,16H,7-11,13,25H2,1-2H3,(H,28,33)(H,30,31)(H2,26,27,29);2*1H
InChIKeyPZOWOJSIUSSATR-UHFFFAOYSA-N
MW519.48 g/mol
LogP3.30
Rot. Bonds4

About 8-amino-N-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide;dihydrochloride

8-amino-N-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide;dihydrochloride (PubChem CID 153487749) has the molecular formula C24H32Cl2N8O and a molecular weight of 519.48 g/mol. Its IUPAC name is 8-amino-N-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name8-amino-N-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide;dihydrochloride
PubChem CID153487749
Molecular FormulaC24H32Cl2N8O
Molecular Weight519.48 g/mol
Exact Mass518.21
IUPAC Name8-amino-N-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide;dihydrochloride
SMILESCC1(C)Cc2cnc(N)nc2-c2n[nH]c(C(=O)Nc3ccc(CN4CCC(N)CC4)cc3)c21.Cl.Cl
InChIInChI=1S/C24H30N8O.2ClH/c1-24(2)11-15-12-27-23(26)29-19(15)20-18(24)21(31-30-20)22(33)28-17-5-3-14(4-6-17)13-32-9-7-16(25)8-10-32;;/h3-6,12,16H,7-11,13,25H2,1-2H3,(H,28,33)(H,30,31)(H2,26,27,29);2*1H
InChIKeyPZOWOJSIUSSATR-UHFFFAOYSA-N
XLogP3.30
TPSA138.84 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.48
LogP ≤ 53.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]acetamide;hydrochloride
CID 118025180
N-(4-aminophenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 84614037
2-amino-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride
CID 119946472
4-amino-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide
CID 155955429
2-(4-aminopiperidin-1-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide;dihydrochloride
CID 119908408
6-fluoro-N-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
CID 139431401
7-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-2H-indazole-3-carboxamide
CID 139431431
N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 108737815
N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-(pyrazolo[1,5-a]pyrimidin-7-ylamino)-1H-pyrazole-5-carboxamide
CID 155812314
N-[4-[[4-(1-aminoethyl)piperidin-1-yl]methyl]phenyl]acetamide
CID 63596528
N-[4-[3-(2-aminopyrimidin-4-yl)-4-pyridinyl]-3-methylphenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 10289059
1-[(4-methylphenyl)methyl]piperidin-4-amine;hydrochloride
CID 17221614

Frequently Asked Questions

What is the IUPAC name of 8-amino-N-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide;dihydrochloride?
The IUPAC name of 8-amino-N-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide;dihydrochloride (CID 153487749) is 8-amino-N-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide;dihydrochloride.
What is the SMILES notation for 8-amino-N-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide;dihydrochloride?
The canonical SMILES for 8-amino-N-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide;dihydrochloride is CC1(C)Cc2cnc(N)nc2-c2n[nH]c(C(=O)Nc3ccc(CN4CCC(N)CC4)cc3)c21.Cl.Cl.
What is the InChIKey of 8-amino-N-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide;dihydrochloride?
The InChIKey is PZOWOJSIUSSATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N8O.2ClH/c1-24(2)11-15-12-27-23(26)29-19(15)20-18(24)21(31-30-20)22(33)28-17-5-3-14(4-6-17)13-32-9-7-16(25)8-10-32;;/h3-6,12,16H,7-11,13,25H2,1-2H3,(H,28,33)(H,30,31)(H2,26,27,29);2*1H.
What are the key properties of 8-amino-N-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide;dihydrochloride?
8-amino-N-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide;dihydrochloride has a molecular weight of 519.48 g/mol, XLogP of 3.30, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-N-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide;dihydrochloride is sourced from PubChem (CID 153487749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).