1-[3-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-2-pyrimidin-5-ylethanone

C24H25N5O3 — CID 147638153

IUPAC1-[3-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-2-pyrimidin-5-ylethanone
SMILESCC(=O)N1CCc2c(c(-c3cccc(C(=O)Cc4cncnc4)c3)nn2C2CCOC2)C1
InChIInChI=1S/C24H25N5O3/c1-16(30)28-7-5-22-21(13-28)24(27-29(22)20-6-8-32-14-20)19-4-2-3-18(10-19)23(31)9-17-11-25-15-26-12-17/h2-4,10-12,15,20H,5-9,13-14H2,1H3
InChIKeyGHBPDGQMMBDTOV-UHFFFAOYSA-N
MW431.50 g/mol
LogP2.63
Rot. Bonds5

About 1-[3-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-2-pyrimidin-5-ylethanone

1-[3-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-2-pyrimidin-5-ylethanone (PubChem CID 147638153) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 1-[3-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-2-pyrimidin-5-ylethanone.

Molecular Properties

Compound Name1-[3-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-2-pyrimidin-5-ylethanone
PubChem CID147638153
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name1-[3-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-2-pyrimidin-5-ylethanone
SMILESCC(=O)N1CCc2c(c(-c3cccc(C(=O)Cc4cncnc4)c3)nn2C2CCOC2)C1
InChIInChI=1S/C24H25N5O3/c1-16(30)28-7-5-22-21(13-28)24(27-29(22)20-6-8-32-14-20)19-4-2-3-18(10-19)23(31)9-17-11-25-15-26-12-17/h2-4,10-12,15,20H,5-9,13-14H2,1H3
InChIKeyGHBPDGQMMBDTOV-UHFFFAOYSA-N
XLogP2.63
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-2-pyrimidin-5-ylethanone?
The IUPAC name of 1-[3-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-2-pyrimidin-5-ylethanone (CID 147638153) is 1-[3-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-2-pyrimidin-5-ylethanone.
What is the SMILES notation for 1-[3-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-2-pyrimidin-5-ylethanone?
The canonical SMILES for 1-[3-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-2-pyrimidin-5-ylethanone is CC(=O)N1CCc2c(c(-c3cccc(C(=O)Cc4cncnc4)c3)nn2C2CCOC2)C1.
What is the InChIKey of 1-[3-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-2-pyrimidin-5-ylethanone?
The InChIKey is GHBPDGQMMBDTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-16(30)28-7-5-22-21(13-28)24(27-29(22)20-6-8-32-14-20)19-4-2-3-18(10-19)23(31)9-17-11-25-15-26-12-17/h2-4,10-12,15,20H,5-9,13-14H2,1H3.
What are the key properties of 1-[3-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-2-pyrimidin-5-ylethanone?
1-[3-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-2-pyrimidin-5-ylethanone has a molecular weight of 431.50 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-2-pyrimidin-5-ylethanone is sourced from PubChem (CID 147638153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).