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

C29H31N7O — CID 139530348

IUPAC1-[3-cyclopropyl-1-[6-[1-(pyridin-2-ylmethyl)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(Cc6ccccn6)c5)ccc43)c2C1
InChIInChI=1S/C29H31N7O/c1-20(37)33-13-14-36-27(19-33)29(32-28(36)21-7-8-21)35-12-4-5-23-15-22(9-10-26(23)35)24-16-31-34(17-24)18-25-6-2-3-11-30-25/h2-3,6,9-11,15-17,21H,4-5,7-8,12-14,18-19H2,1H3
InChIKeyMXXJJUZMPACESY-UHFFFAOYSA-N
MW493.62 g/mol
LogP4.51
Rot. Bonds5

About 1-[3-cyclopropyl-1-[6-[1-(pyridin-2-ylmethyl)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-(pyridin-2-ylmethyl)pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone (PubChem CID 139530348) has the molecular formula C29H31N7O and a molecular weight of 493.62 g/mol. Its IUPAC name is 1-[3-cyclopropyl-1-[6-[1-(pyridin-2-ylmethyl)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-(pyridin-2-ylmethyl)pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
PubChem CID139530348
Molecular FormulaC29H31N7O
Molecular Weight493.62 g/mol
Exact Mass493.26
IUPAC Name1-[3-cyclopropyl-1-[6-[1-(pyridin-2-ylmethyl)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(Cc6ccccn6)c5)ccc43)c2C1
InChIInChI=1S/C29H31N7O/c1-20(37)33-13-14-36-27(19-33)29(32-28(36)21-7-8-21)35-12-4-5-23-15-22(9-10-26(23)35)24-16-31-34(17-24)18-25-6-2-3-11-30-25/h2-3,6,9-11,15-17,21H,4-5,7-8,12-14,18-19H2,1H3
InChIKeyMXXJJUZMPACESY-UHFFFAOYSA-N
XLogP4.51
TPSA72.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.62
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[3-cyclopropyl-1-[6-[1-(pyridin-2-ylmethyl)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-(pyridin-2-ylmethyl)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-(pyridin-2-ylmethyl)pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone (CID 139530348) is 1-[3-cyclopropyl-1-[6-[1-(pyridin-2-ylmethyl)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-(pyridin-2-ylmethyl)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-(pyridin-2-ylmethyl)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(Cc6ccccn6)c5)ccc43)c2C1.
What is the InChIKey of 1-[3-cyclopropyl-1-[6-[1-(pyridin-2-ylmethyl)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 MXXJJUZMPACESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N7O/c1-20(37)33-13-14-36-27(19-33)29(32-28(36)21-7-8-21)35-12-4-5-23-15-22(9-10-26(23)35)24-16-31-34(17-24)18-25-6-2-3-11-30-25/h2-3,6,9-11,15-17,21H,4-5,7-8,12-14,18-19H2,1H3.
What are the key properties of 1-[3-cyclopropyl-1-[6-[1-(pyridin-2-ylmethyl)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-(pyridin-2-ylmethyl)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 493.62 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-cyclopropyl-1-[6-[1-(pyridin-2-ylmethyl)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 139530348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).