N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-1-propan-2-yl-4,5-dihydropyrazolo[4,5-h]quinazolin-8-amine

C23H30N8 — CID 138705789

IUPACN-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-1-propan-2-yl-4,5-dihydropyrazolo[4,5-h]quinazolin-8-amine
SMILESCC(C)n1ncc2c1-c1nc(Nc3ccc(CN4CCN(C)CC4)cn3)ncc1CC2
InChIInChI=1S/C23H30N8/c1-16(2)31-22-19(14-26-31)6-5-18-13-25-23(28-21(18)22)27-20-7-4-17(12-24-20)15-30-10-8-29(3)9-11-30/h4,7,12-14,16H,5-6,8-11,15H2,1-3H3,(H,24,25,27,28)
InChIKeyGYRLTEALWHTBIX-UHFFFAOYSA-N
MW418.55 g/mol
LogP2.91
Rot. Bonds5

About N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-1-propan-2-yl-4,5-dihydropyrazolo[4,5-h]quinazolin-8-amine

N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-1-propan-2-yl-4,5-dihydropyrazolo[4,5-h]quinazolin-8-amine (PubChem CID 138705789) has the molecular formula C23H30N8 and a molecular weight of 418.55 g/mol. Its IUPAC name is N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-1-propan-2-yl-4,5-dihydropyrazolo[4,5-h]quinazolin-8-amine.

Molecular Properties

Compound NameN-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-1-propan-2-yl-4,5-dihydropyrazolo[4,5-h]quinazolin-8-amine
PubChem CID138705789
Molecular FormulaC23H30N8
Molecular Weight418.55 g/mol
Exact Mass418.26
IUPAC NameN-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-1-propan-2-yl-4,5-dihydropyrazolo[4,5-h]quinazolin-8-amine
SMILESCC(C)n1ncc2c1-c1nc(Nc3ccc(CN4CCN(C)CC4)cn3)ncc1CC2
InChIInChI=1S/C23H30N8/c1-16(2)31-22-19(14-26-31)6-5-18-13-25-23(28-21(18)22)27-20-7-4-17(12-24-20)15-30-10-8-29(3)9-11-30/h4,7,12-14,16H,5-6,8-11,15H2,1-3H3,(H,24,25,27,28)
InChIKeyGYRLTEALWHTBIX-UHFFFAOYSA-N
XLogP2.91
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.55
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-1-propan-2-yl-4,5-dihydropyrazolo[4,5-h]quinazolin-8-amine with MolForge

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Launch Full Analysis

Related Compounds

5-fluoro-4-(5-fluoro-1-propan-2-yl-3,4-dihydro-2H-quinolin-7-yl)-N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-2-amine
CID 166120916
5-fluoro-N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-amine
CID 154666451
4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoro-N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-2-amine
CID 130310819
ethane;N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-4-methyl-3-propan-2-yl-4,5,10,12-tetrazatricyclo[6.4.0.02,6]dodeca-1(12),2,5,8,10-pentaen-11-amine
CID 142345747
1-[6-(1-hydroxyethyl)-2-[[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]amino]pyrido[3,4-d]pyrimidin-8-yl]piperidin-4-ol
CID 139529206
1-[2-[[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]amino]-8-[(3S)-3-methylpyrrolidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]ethanol
CID 139529144
5-fluoro-4-(8-fluoro-4-propan-2-ylspiro[3H-1,4-benzoxazine-2,1'-cyclohexane]-6-yl)-N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-2-amine
CID 166120706
(1R)-1-[8-[(3R)-3-fluoropiperidin-1-yl]-2-[[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]amino]pyrido[3,4-d]pyrimidin-6-yl]ethanol
CID 139529346
N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoro-4-(8-fluoro-1-methyl-4-propan-2-yl-2,3-dihydroquinoxalin-6-yl)pyrimidin-2-amine
CID 166120742
5-[(4-ethylpiperazin-1-yl)methyl]-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]pyridin-2-amine
CID 172866624
5-fluoro-4-[(1R)-5-fluoro-1-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl]-N-[5-[(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)methyl]-2-pyridinyl]pyrimidin-2-amine
CID 122666613
N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoro-4-pyridin-2-ylpyrimidin-2-amine
CID 175929946

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-1-propan-2-yl-4,5-dihydropyrazolo[4,5-h]quinazolin-8-amine?
The IUPAC name of N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-1-propan-2-yl-4,5-dihydropyrazolo[4,5-h]quinazolin-8-amine (CID 138705789) is N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-1-propan-2-yl-4,5-dihydropyrazolo[4,5-h]quinazolin-8-amine.
What is the SMILES notation for N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-1-propan-2-yl-4,5-dihydropyrazolo[4,5-h]quinazolin-8-amine?
The canonical SMILES for N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-1-propan-2-yl-4,5-dihydropyrazolo[4,5-h]quinazolin-8-amine is CC(C)n1ncc2c1-c1nc(Nc3ccc(CN4CCN(C)CC4)cn3)ncc1CC2.
What is the InChIKey of N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-1-propan-2-yl-4,5-dihydropyrazolo[4,5-h]quinazolin-8-amine?
The InChIKey is GYRLTEALWHTBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N8/c1-16(2)31-22-19(14-26-31)6-5-18-13-25-23(28-21(18)22)27-20-7-4-17(12-24-20)15-30-10-8-29(3)9-11-30/h4,7,12-14,16H,5-6,8-11,15H2,1-3H3,(H,24,25,27,28).
What are the key properties of N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-1-propan-2-yl-4,5-dihydropyrazolo[4,5-h]quinazolin-8-amine?
N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-1-propan-2-yl-4,5-dihydropyrazolo[4,5-h]quinazolin-8-amine has a molecular weight of 418.55 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-1-propan-2-yl-4,5-dihydropyrazolo[4,5-h]quinazolin-8-amine is sourced from PubChem (CID 138705789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).