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

C16H13ClN6O — CID 24811930

IUPAC(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(4-pyrimidin-5-yl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESO=C(c1cc2ncc(Cl)cn2n1)N1CC=C(c2cncnc2)CC1
InChIInChI=1S/C16H13ClN6O/c17-13-8-20-15-5-14(21-23(15)9-13)16(24)22-3-1-11(2-4-22)12-6-18-10-19-7-12/h1,5-10H,2-4H2
InChIKeyKOQKIWZFEWWUHL-UHFFFAOYSA-N
MW340.77 g/mol
LogP2.10
Rot. Bonds2

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

(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(4-pyrimidin-5-yl-3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 24811930) has the molecular formula C16H13ClN6O and a molecular weight of 340.77 g/mol. Its IUPAC name is (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(4-pyrimidin-5-yl-3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(4-pyrimidin-5-yl-3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID24811930
Molecular FormulaC16H13ClN6O
Molecular Weight340.77 g/mol
Exact Mass340.08
IUPAC Name(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(4-pyrimidin-5-yl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESO=C(c1cc2ncc(Cl)cn2n1)N1CC=C(c2cncnc2)CC1
InChIInChI=1S/C16H13ClN6O/c17-13-8-20-15-5-14(21-23(15)9-13)16(24)22-3-1-11(2-4-22)12-6-18-10-19-7-12/h1,5-10H,2-4H2
InChIKeyKOQKIWZFEWWUHL-UHFFFAOYSA-N
XLogP2.10
TPSA76.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.77
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(4-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 59660657
(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
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[7-(fluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 67300824
(6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[4-(2-nitrophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 143619343
tert-butyl 4-pyrimidin-5-yl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 142573654
(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
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(1-methyl-3,4-dihydro-1H-2,6-naphthyridin-2-yl)methanone
CID 24810367
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(6,7-dichloro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 58416367
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-methyl-4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 24810174
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2,3-difluoro-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 59663077

Frequently Asked Questions

What is the IUPAC name of (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(4-pyrimidin-5-yl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(4-pyrimidin-5-yl-3,6-dihydro-2H-pyridin-1-yl)methanone (CID 24811930) is (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(4-pyrimidin-5-yl-3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(4-pyrimidin-5-yl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(4-pyrimidin-5-yl-3,6-dihydro-2H-pyridin-1-yl)methanone is O=C(c1cc2ncc(Cl)cn2n1)N1CC=C(c2cncnc2)CC1.
What is the InChIKey of (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(4-pyrimidin-5-yl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is KOQKIWZFEWWUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN6O/c17-13-8-20-15-5-14(21-23(15)9-13)16(24)22-3-1-11(2-4-22)12-6-18-10-19-7-12/h1,5-10H,2-4H2.
What are the key properties of (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(4-pyrimidin-5-yl-3,6-dihydro-2H-pyridin-1-yl)methanone?
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(4-pyrimidin-5-yl-3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 340.77 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(4-pyrimidin-5-yl-3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 24811930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).