(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-methyl-4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone

C18H16ClN5O — CID 24810174

IUPAC(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-methyl-4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCC1CC(c2ccccn2)=CCN1C(=O)c1cc2ncc(Cl)cn2n1
InChIInChI=1S/C18H16ClN5O/c1-12-8-13(15-4-2-3-6-20-15)5-7-23(12)18(25)16-9-17-21-10-14(19)11-24(17)22-16/h2-6,9-12H,7-8H2,1H3
InChIKeyFIPFQMGSKNDCSZ-UHFFFAOYSA-N
MW353.81 g/mol
LogP3.10
Rot. Bonds2

About (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-methyl-4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone

(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-methyl-4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 24810174) has the molecular formula C18H16ClN5O and a molecular weight of 353.81 g/mol. Its IUPAC name is (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-methyl-4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-methyl-4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID24810174
Molecular FormulaC18H16ClN5O
Molecular Weight353.81 g/mol
Exact Mass353.10
IUPAC Name(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-methyl-4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCC1CC(c2ccccn2)=CCN1C(=O)c1cc2ncc(Cl)cn2n1
InChIInChI=1S/C18H16ClN5O/c1-12-8-13(15-4-2-3-6-20-15)5-7-23(12)18(25)16-9-17-21-10-14(19)11-24(17)22-16/h2-6,9-12H,7-8H2,1H3
InChIKeyFIPFQMGSKNDCSZ-UHFFFAOYSA-N
XLogP3.10
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-methyl-4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-methyl-4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone (CID 24810174) is (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-methyl-4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-methyl-4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-methyl-4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone is CC1CC(c2ccccn2)=CCN1C(=O)c1cc2ncc(Cl)cn2n1.
What is the InChIKey of (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-methyl-4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is FIPFQMGSKNDCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5O/c1-12-8-13(15-4-2-3-6-20-15)5-7-23(12)18(25)16-9-17-21-10-14(19)11-24(17)22-16/h2-6,9-12H,7-8H2,1H3.
What are the key properties of (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-methyl-4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone?
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-methyl-4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 353.81 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-methyl-4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 24810174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).