N-(4-methyl-5-piperazin-1-yl-2-pyridinyl)-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine

C23H27N7 — CID 167605316

IUPACN-(4-methyl-5-piperazin-1-yl-2-pyridinyl)-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine
SMILESCc1cc(Nc2ncc3ccc4ccn(C(C)C)c4c3n2)ncc1N1CCNCC1
InChIInChI=1S/C23H27N7/c1-15(2)30-9-6-17-4-5-18-13-26-23(28-21(18)22(17)30)27-20-12-16(3)19(14-25-20)29-10-7-24-8-11-29/h4-6,9,12-15,24H,7-8,10-11H2,1-3H3,(H,25,26,27,28)
InChIKeySFWXMMFTGAXEBD-UHFFFAOYSA-N
MW401.52 g/mol
LogP4.02
Rot. Bonds4

About N-(4-methyl-5-piperazin-1-yl-2-pyridinyl)-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine

N-(4-methyl-5-piperazin-1-yl-2-pyridinyl)-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine (PubChem CID 167605316) has the molecular formula C23H27N7 and a molecular weight of 401.52 g/mol. Its IUPAC name is N-(4-methyl-5-piperazin-1-yl-2-pyridinyl)-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine.

Molecular Properties

Compound NameN-(4-methyl-5-piperazin-1-yl-2-pyridinyl)-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine
PubChem CID167605316
Molecular FormulaC23H27N7
Molecular Weight401.52 g/mol
Exact Mass401.23
IUPAC NameN-(4-methyl-5-piperazin-1-yl-2-pyridinyl)-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine
SMILESCc1cc(Nc2ncc3ccc4ccn(C(C)C)c4c3n2)ncc1N1CCNCC1
InChIInChI=1S/C23H27N7/c1-15(2)30-9-6-17-4-5-18-13-26-23(28-21(18)22(17)30)27-20-12-16(3)19(14-25-20)29-10-7-24-8-11-29/h4-6,9,12-15,24H,7-8,10-11H2,1-3H3,(H,25,26,27,28)
InChIKeySFWXMMFTGAXEBD-UHFFFAOYSA-N
XLogP4.02
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.52
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(4-methyl-5-piperazin-1-yl-2-pyridinyl)-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine with MolForge

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Related Compounds

N-[4-ethoxy-5-(4-methylpiperazin-1-yl)-2-pyridinyl]-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine
CID 170245210
N-[4-methoxy-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine
CID 170245203
4-methyl-N-(5-piperazin-1-yl-2-pyridinyl)-1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-amine
CID 154939051
N-[5-(2,5-diazabicyclo[2.2.2]octan-2-yl)-4-methoxy-2-pyridinyl]-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine
CID 170245222
1-cyclopropyl-N-[5-(4-ethylpiperazin-1-yl)-4-methyl-2-pyridinyl]pyrazolo[4,5-h]quinazolin-8-amine
CID 164754275
8-[amino(propan-2-yl)amino]-2-N-(6-methyl-5-piperazin-1-yl-2-pyridinyl)quinazoline-2,7-diamine
CID 167046293
N-(5-piperidin-1-yl-2-pyridinyl)-1-propan-2-ylimidazo[4,5-h]quinazolin-8-amine
CID 146359752
1-[8-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;1-[8-[(4-fluoro-5-piperazin-1-yl-2-pyridinyl)amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;1-[8-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;hydrochloride
CID 165048145
N-(5-piperidin-4-yl-2-pyridinyl)-1-propan-2-yltriazolo[4,5-h]quinazolin-8-amine;hydrochloride
CID 167640890
1-[6-[(1-propan-2-yltriazolo[4,5-h]quinazolin-8-yl)amino]-3-pyridinyl]piperazin-2-one;hydrochloride
CID 163286427
N-(4-piperazin-1-ylphenyl)-9-propan-2-yl-7H-pyrrolo[3,4-h]quinazolin-2-amine
CID 167674771
9-ethyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine
CID 167655081

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-5-piperazin-1-yl-2-pyridinyl)-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine?
The IUPAC name of N-(4-methyl-5-piperazin-1-yl-2-pyridinyl)-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine (CID 167605316) is N-(4-methyl-5-piperazin-1-yl-2-pyridinyl)-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine.
What is the SMILES notation for N-(4-methyl-5-piperazin-1-yl-2-pyridinyl)-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine?
The canonical SMILES for N-(4-methyl-5-piperazin-1-yl-2-pyridinyl)-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine is Cc1cc(Nc2ncc3ccc4ccn(C(C)C)c4c3n2)ncc1N1CCNCC1.
What is the InChIKey of N-(4-methyl-5-piperazin-1-yl-2-pyridinyl)-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine?
The InChIKey is SFWXMMFTGAXEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7/c1-15(2)30-9-6-17-4-5-18-13-26-23(28-21(18)22(17)30)27-20-12-16(3)19(14-25-20)29-10-7-24-8-11-29/h4-6,9,12-15,24H,7-8,10-11H2,1-3H3,(H,25,26,27,28).
What are the key properties of N-(4-methyl-5-piperazin-1-yl-2-pyridinyl)-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine?
N-(4-methyl-5-piperazin-1-yl-2-pyridinyl)-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine has a molecular weight of 401.52 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-5-piperazin-1-yl-2-pyridinyl)-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine is sourced from PubChem (CID 167605316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).