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

C17H14ClN5O — CID 59660657

IUPAC(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(4-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESO=C(c1cc2ncc(Cl)cn2n1)N1CC=C(c2cccnc2)CC1
InChIInChI=1S/C17H14ClN5O/c18-14-10-20-16-8-15(21-23(16)11-14)17(24)22-6-3-12(4-7-22)13-2-1-5-19-9-13/h1-3,5,8-11H,4,6-7H2
InChIKeyRSCBOZBZIVHEMQ-UHFFFAOYSA-N
MW339.79 g/mol
LogP2.71
Rot. Bonds2

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

(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(4-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 59660657) has the molecular formula C17H14ClN5O and a molecular weight of 339.79 g/mol. Its IUPAC name is (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(4-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(4-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID59660657
Molecular FormulaC17H14ClN5O
Molecular Weight339.79 g/mol
Exact Mass339.09
IUPAC Name(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(4-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESO=C(c1cc2ncc(Cl)cn2n1)N1CC=C(c2cccnc2)CC1
InChIInChI=1S/C17H14ClN5O/c18-14-10-20-16-8-15(21-23(16)11-14)17(24)22-6-3-12(4-7-22)13-2-1-5-19-9-13/h1-3,5,8-11H,4,6-7H2
InChIKeyRSCBOZBZIVHEMQ-UHFFFAOYSA-N
XLogP2.71
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.79
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(4-pyrimidin-5-yl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 24811930
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 24811617
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[4-(2-nitrophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 24810847
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 24811824
tert-butyl 4-pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 58913408
(6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[4-(2-nitrophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 143619343
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(1-methyl-3,4-dihydro-1H-2,6-naphthyridin-2-yl)methanone
CID 24810367
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[4-(3-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)methanone;[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)methanone
CID 173146654
5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 72908260
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-methyl-4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 24810174
(3,4-dichlorophenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 2568947
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(1,8-dimethyl-3,4-dihydrocinnolin-2-yl)methanone
CID 66846297

Frequently Asked Questions

What is the IUPAC name of (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(4-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(4-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)methanone (CID 59660657) is (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(4-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(4-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(4-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)methanone is O=C(c1cc2ncc(Cl)cn2n1)N1CC=C(c2cccnc2)CC1.
What is the InChIKey of (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(4-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is RSCBOZBZIVHEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5O/c18-14-10-20-16-8-15(21-23(16)11-14)17(24)22-6-3-12(4-7-22)13-2-1-5-19-9-13/h1-3,5,8-11H,4,6-7H2.
What are the key properties of (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(4-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)methanone?
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(4-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 339.79 g/mol, XLogP of 2.71, 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)-(4-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 59660657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).