1-[3-cyclopropyl-1-[6-[1-(cyclopropylmethyl)pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone

C27H32N6O — CID 139530466

IUPAC1-[3-cyclopropyl-1-[6-[1-(cyclopropylmethyl)pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
SMILESCC(=O)N1CCn2c(C3CC3)nc(N3CCCc4cc(-c5cnn(CC6CC6)c5)ccc43)c2C1
InChIInChI=1S/C27H32N6O/c1-18(34)30-11-12-33-25(17-30)27(29-26(33)20-6-7-20)32-10-2-3-22-13-21(8-9-24(22)32)23-14-28-31(16-23)15-19-4-5-19/h8-9,13-14,16,19-20H,2-7,10-12,15,17H2,1H3
InChIKeyKMKZZABMJKXRNA-UHFFFAOYSA-N
MW456.59 g/mol
LogP4.48
Rot. Bonds5

About 1-[3-cyclopropyl-1-[6-[1-(cyclopropylmethyl)pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone

1-[3-cyclopropyl-1-[6-[1-(cyclopropylmethyl)pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone (PubChem CID 139530466) has the molecular formula C27H32N6O and a molecular weight of 456.59 g/mol. Its IUPAC name is 1-[3-cyclopropyl-1-[6-[1-(cyclopropylmethyl)pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone.

Molecular Properties

Compound Name1-[3-cyclopropyl-1-[6-[1-(cyclopropylmethyl)pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
PubChem CID139530466
Molecular FormulaC27H32N6O
Molecular Weight456.59 g/mol
Exact Mass456.26
IUPAC Name1-[3-cyclopropyl-1-[6-[1-(cyclopropylmethyl)pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
SMILESCC(=O)N1CCn2c(C3CC3)nc(N3CCCc4cc(-c5cnn(CC6CC6)c5)ccc43)c2C1
InChIInChI=1S/C27H32N6O/c1-18(34)30-11-12-33-25(17-30)27(29-26(33)20-6-7-20)32-10-2-3-22-13-21(8-9-24(22)32)23-14-28-31(16-23)15-19-4-5-19/h8-9,13-14,16,19-20H,2-7,10-12,15,17H2,1H3
InChIKeyKMKZZABMJKXRNA-UHFFFAOYSA-N
XLogP4.48
TPSA59.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[3-cyclopropyl-1-[6-[1-(cyclopropylmethyl)pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-cyclopropyl-1-[6-[1-(cyclopropylmethyl)pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
The IUPAC name of 1-[3-cyclopropyl-1-[6-[1-(cyclopropylmethyl)pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone (CID 139530466) is 1-[3-cyclopropyl-1-[6-[1-(cyclopropylmethyl)pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone.
What is the SMILES notation for 1-[3-cyclopropyl-1-[6-[1-(cyclopropylmethyl)pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
The canonical SMILES for 1-[3-cyclopropyl-1-[6-[1-(cyclopropylmethyl)pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone is CC(=O)N1CCn2c(C3CC3)nc(N3CCCc4cc(-c5cnn(CC6CC6)c5)ccc43)c2C1.
What is the InChIKey of 1-[3-cyclopropyl-1-[6-[1-(cyclopropylmethyl)pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
The InChIKey is KMKZZABMJKXRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O/c1-18(34)30-11-12-33-25(17-30)27(29-26(33)20-6-7-20)32-10-2-3-22-13-21(8-9-24(22)32)23-14-28-31(16-23)15-19-4-5-19/h8-9,13-14,16,19-20H,2-7,10-12,15,17H2,1H3.
What are the key properties of 1-[3-cyclopropyl-1-[6-[1-(cyclopropylmethyl)pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
1-[3-cyclopropyl-1-[6-[1-(cyclopropylmethyl)pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone has a molecular weight of 456.59 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-cyclopropyl-1-[6-[1-(cyclopropylmethyl)pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone is sourced from PubChem (CID 139530466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).