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

C87H78Cl5N23O6S — CID 173149439

IUPAC(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[4-(furan-2-yl)-2-methyl-3,6-dihydro-2H-pyridin-1-yl]methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-methyl-4-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-methyl-4-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-(1H-pyrrol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-methyl-4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCC1CC(c2ccc[nH]2)=CCN1C(=O)c1cc2ncc(Cl)cn2n1.CC1CC(c2cccnc2)=CCN1C(=O)c1cc2ncc(Cl)cn2n1.CC1CC(c2ccco2)=CCN1C(=O)c1cc2ncc(Cl)cn2n1.CC1CC(c2cccs2)=CCN1C(=O)c1cc2ncc(Cl)cn2n1.CC1CC(c2ccncc2)=CCN1C(=O)c1cc2ncc(Cl)cn2n1
InChIInChI=1S/2C18H16ClN5O.C17H16ClN5O.C17H15ClN4O2.C17H15ClN4OS/c1-12-8-14(13-2-5-20-6-3-13)4-7-23(12)18(25)16-9-17-21-10-15(19)11-24(17)22-16;1-12-7-13(14-3-2-5-20-9-14)4-6-23(12)18(25)16-8-17-21-10-15(19)11-24(17)22-16;1-11-7-12(14-3-2-5-19-14)4-6-22(11)17(24)15-8-16-20-9-13(18)10-23(16)21-15;2*1-11-7-12(15-3-2-6-24-15)4-5-21(11)17(23)14-8-16-19-9-13(18)10-22(16)20-14/h2-6,9-12H,7-8H2,1H3;2-5,8-12H,6-7H2,1H3;2-5,8-11,19H,6-7H2,1H3;2*2-4,6,8-11H,5,7H2,1H3
InChIKeyQFCZDWDMLURYAF-UHFFFAOYSA-N
MW1751.07 g/mol
LogP16.28
Rot. Bonds10

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

(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[4-(furan-2-yl)-2-methyl-3,6-dihydro-2H-pyridin-1-yl]methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-methyl-4-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-methyl-4-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-(1H-pyrrol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-methyl-4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 173149439) has the molecular formula C87H78Cl5N23O6S and a molecular weight of 1751.07 g/mol. Its IUPAC name is (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[4-(furan-2-yl)-2-methyl-3,6-dihydro-2H-pyridin-1-yl]methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-methyl-4-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-methyl-4-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-(1H-pyrrol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-methyl-4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[4-(furan-2-yl)-2-methyl-3,6-dihydro-2H-pyridin-1-yl]methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-methyl-4-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-methyl-4-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-(1H-pyrrol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-methyl-4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID173149439
Molecular FormulaC87H78Cl5N23O6S
Molecular Weight1751.07 g/mol
Exact Mass1747.47
IUPAC Name(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[4-(furan-2-yl)-2-methyl-3,6-dihydro-2H-pyridin-1-yl]methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-methyl-4-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-methyl-4-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-(1H-pyrrol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-methyl-4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCC1CC(c2ccc[nH]2)=CCN1C(=O)c1cc2ncc(Cl)cn2n1.CC1CC(c2cccnc2)=CCN1C(=O)c1cc2ncc(Cl)cn2n1.CC1CC(c2ccco2)=CCN1C(=O)c1cc2ncc(Cl)cn2n1.CC1CC(c2cccs2)=CCN1C(=O)c1cc2ncc(Cl)cn2n1.CC1CC(c2ccncc2)=CCN1C(=O)c1cc2ncc(Cl)cn2n1
InChIInChI=1S/2C18H16ClN5O.C17H16ClN5O.C17H15ClN4O2.C17H15ClN4OS/c1-12-8-14(13-2-5-20-6-3-13)4-7-23(12)18(25)16-9-17-21-10-15(19)11-24(17)22-16;1-12-7-13(14-3-2-5-20-9-14)4-6-23(12)18(25)16-8-17-21-10-15(19)11-24(17)22-16;1-11-7-12(14-3-2-5-19-14)4-6-22(11)17(24)15-8-16-20-9-13(18)10-23(16)21-15;2*1-11-7-12(15-3-2-6-24-15)4-5-21(11)17(23)14-8-16-19-9-13(18)10-22(16)20-14/h2-6,9-12H,7-8H2,1H3;2-5,8-12H,6-7H2,1H3;2-5,8-11,19H,6-7H2,1H3;2*2-4,6,8-11H,5,7H2,1H3
InChIKeyQFCZDWDMLURYAF-UHFFFAOYSA-N
XLogP16.28
TPSA307.21 Ų
H-Bond Donors1
H-Bond Acceptors24
Rotatable Bonds10
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001751.07
LogP ≤ 516.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1024

Analyze (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[4-(furan-2-yl)-2-methyl-3,6-dihydro-2H-pyridin-1-yl]methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-methyl-4-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-methyl-4-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-(1H-pyrrol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-methyl-4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[4-(furan-2-yl)-2-methyl-3,6-dihydro-2H-pyridin-1-yl]methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-methyl-4-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-methyl-4-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-(1H-pyrrol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-methyl-4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[4-(furan-2-yl)-2-methyl-3,6-dihydro-2H-pyridin-1-yl]methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-methyl-4-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-methyl-4-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-(1H-pyrrol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-methyl-4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone (CID 173149439) is (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[4-(furan-2-yl)-2-methyl-3,6-dihydro-2H-pyridin-1-yl]methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-methyl-4-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-methyl-4-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-(1H-pyrrol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-methyl-4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[4-(furan-2-yl)-2-methyl-3,6-dihydro-2H-pyridin-1-yl]methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-methyl-4-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-methyl-4-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-(1H-pyrrol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-methyl-4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[4-(furan-2-yl)-2-methyl-3,6-dihydro-2H-pyridin-1-yl]methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-methyl-4-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-methyl-4-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-(1H-pyrrol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-methyl-4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone is CC1CC(c2ccc[nH]2)=CCN1C(=O)c1cc2ncc(Cl)cn2n1.CC1CC(c2cccnc2)=CCN1C(=O)c1cc2ncc(Cl)cn2n1.CC1CC(c2ccco2)=CCN1C(=O)c1cc2ncc(Cl)cn2n1.CC1CC(c2cccs2)=CCN1C(=O)c1cc2ncc(Cl)cn2n1.CC1CC(c2ccncc2)=CCN1C(=O)c1cc2ncc(Cl)cn2n1.
What is the InChIKey of (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[4-(furan-2-yl)-2-methyl-3,6-dihydro-2H-pyridin-1-yl]methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-methyl-4-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-methyl-4-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-(1H-pyrrol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-methyl-4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is QFCZDWDMLURYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H16ClN5O.C17H16ClN5O.C17H15ClN4O2.C17H15ClN4OS/c1-12-8-14(13-2-5-20-6-3-13)4-7-23(12)18(25)16-9-17-21-10-15(19)11-24(17)22-16;1-12-7-13(14-3-2-5-20-9-14)4-6-23(12)18(25)16-8-17-21-10-15(19)11-24(17)22-16;1-11-7-12(14-3-2-5-19-14)4-6-22(11)17(24)15-8-16-20-9-13(18)10-23(16)21-15;2*1-11-7-12(15-3-2-6-24-15)4-5-21(11)17(23)14-8-16-19-9-13(18)10-22(16)20-14/h2-6,9-12H,7-8H2,1H3;2-5,8-12H,6-7H2,1H3;2-5,8-11,19H,6-7H2,1H3;2*2-4,6,8-11H,5,7H2,1H3.
What are the key properties of (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[4-(furan-2-yl)-2-methyl-3,6-dihydro-2H-pyridin-1-yl]methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-methyl-4-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-methyl-4-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-(1H-pyrrol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-methyl-4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone?
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[4-(furan-2-yl)-2-methyl-3,6-dihydro-2H-pyridin-1-yl]methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-methyl-4-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-methyl-4-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-(1H-pyrrol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-methyl-4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 1751.07 g/mol, XLogP of 16.28, 10 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[4-(furan-2-yl)-2-methyl-3,6-dihydro-2H-pyridin-1-yl]methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-methyl-4-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-methyl-4-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-(1H-pyrrol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-methyl-4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 173149439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).