1-[2-methyl-3-(2-morpholin-4-yl-3-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-2-phenoxyethanone

C24H27N5O3 — CID 134810025

IUPAC1-[2-methyl-3-(2-morpholin-4-yl-3-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-2-phenoxyethanone
SMILESCc1nn2c(c1-c1cccnc1N1CCOCC1)N(C(=O)COc1ccccc1)CCC2
InChIInChI=1S/C24H27N5O3/c1-18-22(20-9-5-10-25-23(20)27-13-15-31-16-14-27)24-28(11-6-12-29(24)26-18)21(30)17-32-19-7-3-2-4-8-19/h2-5,7-10H,6,11-17H2,1H3
InChIKeyNVMXIXBLCPOWEP-UHFFFAOYSA-N
MW433.51 g/mol
LogP2.91
Rot. Bonds5

About 1-[2-methyl-3-(2-morpholin-4-yl-3-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-2-phenoxyethanone

1-[2-methyl-3-(2-morpholin-4-yl-3-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-2-phenoxyethanone (PubChem CID 134810025) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 1-[2-methyl-3-(2-morpholin-4-yl-3-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[2-methyl-3-(2-morpholin-4-yl-3-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-2-phenoxyethanone
PubChem CID134810025
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Name1-[2-methyl-3-(2-morpholin-4-yl-3-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-2-phenoxyethanone
SMILESCc1nn2c(c1-c1cccnc1N1CCOCC1)N(C(=O)COc1ccccc1)CCC2
InChIInChI=1S/C24H27N5O3/c1-18-22(20-9-5-10-25-23(20)27-13-15-31-16-14-27)24-28(11-6-12-29(24)26-18)21(30)17-32-19-7-3-2-4-8-19/h2-5,7-10H,6,11-17H2,1H3
InChIKeyNVMXIXBLCPOWEP-UHFFFAOYSA-N
XLogP2.91
TPSA72.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-3-(2-morpholin-4-yl-3-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-2-phenoxyethanone?
The IUPAC name of 1-[2-methyl-3-(2-morpholin-4-yl-3-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-2-phenoxyethanone (CID 134810025) is 1-[2-methyl-3-(2-morpholin-4-yl-3-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[2-methyl-3-(2-morpholin-4-yl-3-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[2-methyl-3-(2-morpholin-4-yl-3-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-2-phenoxyethanone is Cc1nn2c(c1-c1cccnc1N1CCOCC1)N(C(=O)COc1ccccc1)CCC2.
What is the InChIKey of 1-[2-methyl-3-(2-morpholin-4-yl-3-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-2-phenoxyethanone?
The InChIKey is NVMXIXBLCPOWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-18-22(20-9-5-10-25-23(20)27-13-15-31-16-14-27)24-28(11-6-12-29(24)26-18)21(30)17-32-19-7-3-2-4-8-19/h2-5,7-10H,6,11-17H2,1H3.
What are the key properties of 1-[2-methyl-3-(2-morpholin-4-yl-3-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-2-phenoxyethanone?
1-[2-methyl-3-(2-morpholin-4-yl-3-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-2-phenoxyethanone has a molecular weight of 433.51 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-3-(2-morpholin-4-yl-3-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-2-phenoxyethanone is sourced from PubChem (CID 134810025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).