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

C22H23N5O2 — CID 147789707

IUPAC1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-5-(5-pyridin-3-yl-2-pyridinyl)pentane-1,4-dione
SMILESCc1cc2n(n1)CCCN2C(=O)CCC(=O)Cc1ccc(-c2cccnc2)cn1
InChIInChI=1S/C22H23N5O2/c1-16-12-21-26(10-3-11-27(21)25-16)22(29)8-7-20(28)13-19-6-5-18(15-24-19)17-4-2-9-23-14-17/h2,4-6,9,12,14-15H,3,7-8,10-11,13H2,1H3
InChIKeyHJJSWJBMKURGLO-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.98
Rot. Bonds6

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

1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-5-(5-pyridin-3-yl-2-pyridinyl)pentane-1,4-dione (PubChem CID 147789707) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-5-(5-pyridin-3-yl-2-pyridinyl)pentane-1,4-dione.

Molecular Properties

Compound Name1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-5-(5-pyridin-3-yl-2-pyridinyl)pentane-1,4-dione
PubChem CID147789707
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-5-(5-pyridin-3-yl-2-pyridinyl)pentane-1,4-dione
SMILESCc1cc2n(n1)CCCN2C(=O)CCC(=O)Cc1ccc(-c2cccnc2)cn1
InChIInChI=1S/C22H23N5O2/c1-16-12-21-26(10-3-11-27(21)25-16)22(29)8-7-20(28)13-19-6-5-18(15-24-19)17-4-2-9-23-14-17/h2,4-6,9,12,14-15H,3,7-8,10-11,13H2,1H3
InChIKeyHJJSWJBMKURGLO-UHFFFAOYSA-N
XLogP2.98
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-5-(5-pyridin-3-yl-2-pyridinyl)pentane-1,4-dione?
The IUPAC name of 1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-5-(5-pyridin-3-yl-2-pyridinyl)pentane-1,4-dione (CID 147789707) is 1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-5-(5-pyridin-3-yl-2-pyridinyl)pentane-1,4-dione.
What is the SMILES notation for 1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-5-(5-pyridin-3-yl-2-pyridinyl)pentane-1,4-dione?
The canonical SMILES for 1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-5-(5-pyridin-3-yl-2-pyridinyl)pentane-1,4-dione is Cc1cc2n(n1)CCCN2C(=O)CCC(=O)Cc1ccc(-c2cccnc2)cn1.
What is the InChIKey of 1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-5-(5-pyridin-3-yl-2-pyridinyl)pentane-1,4-dione?
The InChIKey is HJJSWJBMKURGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-16-12-21-26(10-3-11-27(21)25-16)22(29)8-7-20(28)13-19-6-5-18(15-24-19)17-4-2-9-23-14-17/h2,4-6,9,12,14-15H,3,7-8,10-11,13H2,1H3.
What are the key properties of 1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-5-(5-pyridin-3-yl-2-pyridinyl)pentane-1,4-dione?
1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-5-(5-pyridin-3-yl-2-pyridinyl)pentane-1,4-dione has a molecular weight of 389.46 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-5-(5-pyridin-3-yl-2-pyridinyl)pentane-1,4-dione is sourced from PubChem (CID 147789707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).