(4,6-dichloropyrazolo[1,5-a]pyridin-2-yl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone;(4,6-dichloropyrazolo[1,5-a]pyridin-2-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone;(4,6-dichloropyrazolo[1,5-a]pyridin-2-yl)-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone

C43H35Cl6N15O3 — CID 87676287

IUPAC(4,6-dichloropyrazolo[1,5-a]pyridin-2-yl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone;(4,6-dichloropyrazolo[1,5-a]pyridin-2-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone;(4,6-dichloropyrazolo[1,5-a]pyridin-2-yl)-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
SMILESCC1c2cccn2CCN1C(=O)c1cc2c(Cl)cc(Cl)cn2n1.O=C(c1cc2c(Cl)cc(Cl)cn2n1)N1CCn2ccnc2C1.O=C(c1cc2c(Cl)cc(Cl)cn2n1)N1CCn2cnnc2C1
InChIInChI=1S/C16H14Cl2N4O.C14H11Cl2N5O.C13H10Cl2N6O/c1-10-14-3-2-4-20(14)5-6-21(10)16(23)13-8-15-12(18)7-11(17)9-22(15)19-13;15-9-5-10(16)12-6-11(18-21(12)7-9)14(22)20-4-3-19-2-1-17-13(19)8-20;14-8-3-9(15)11-4-10(18-21(11)5-8)13(22)19-1-2-20-7-16-17-12(20)6-19/h2-4,7-10H,5-6H2,1H3;1-2,5-7H,3-4,8H2;3-5,7H,1-2,6H2
InChIKeyNXSUETKPFWKMHR-UHFFFAOYSA-N
MW1022.57 g/mol
LogP8.04
Rot. Bonds3

About (4,6-dichloropyrazolo[1,5-a]pyridin-2-yl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone;(4,6-dichloropyrazolo[1,5-a]pyridin-2-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone;(4,6-dichloropyrazolo[1,5-a]pyridin-2-yl)-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone

(4,6-dichloropyrazolo[1,5-a]pyridin-2-yl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone;(4,6-dichloropyrazolo[1,5-a]pyridin-2-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone;(4,6-dichloropyrazolo[1,5-a]pyridin-2-yl)-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone (PubChem CID 87676287) has the molecular formula C43H35Cl6N15O3 and a molecular weight of 1022.57 g/mol. Its IUPAC name is (4,6-dichloropyrazolo[1,5-a]pyridin-2-yl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone;(4,6-dichloropyrazolo[1,5-a]pyridin-2-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone;(4,6-dichloropyrazolo[1,5-a]pyridin-2-yl)-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone.

Molecular Properties

Compound Name(4,6-dichloropyrazolo[1,5-a]pyridin-2-yl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone;(4,6-dichloropyrazolo[1,5-a]pyridin-2-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone;(4,6-dichloropyrazolo[1,5-a]pyridin-2-yl)-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
PubChem CID87676287
Molecular FormulaC43H35Cl6N15O3
Molecular Weight1022.57 g/mol
Exact Mass1019.12
IUPAC Name(4,6-dichloropyrazolo[1,5-a]pyridin-2-yl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone;(4,6-dichloropyrazolo[1,5-a]pyridin-2-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone;(4,6-dichloropyrazolo[1,5-a]pyridin-2-yl)-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
SMILESCC1c2cccn2CCN1C(=O)c1cc2c(Cl)cc(Cl)cn2n1.O=C(c1cc2c(Cl)cc(Cl)cn2n1)N1CCn2ccnc2C1.O=C(c1cc2c(Cl)cc(Cl)cn2n1)N1CCn2cnnc2C1
InChIInChI=1S/C16H14Cl2N4O.C14H11Cl2N5O.C13H10Cl2N6O/c1-10-14-3-2-4-20(14)5-6-21(10)16(23)13-8-15-12(18)7-11(17)9-22(15)19-13;15-9-5-10(16)12-6-11(18-21(12)7-9)14(22)20-4-3-19-2-1-17-13(19)8-20;14-8-3-9(15)11-4-10(18-21(11)5-8)13(22)19-1-2-20-7-16-17-12(20)6-19/h2-4,7-10H,5-6H2,1H3;1-2,5-7H,3-4,8H2;3-5,7H,1-2,6H2
InChIKeyNXSUETKPFWKMHR-UHFFFAOYSA-N
XLogP8.04
TPSA166.29 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds3
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001022.57
LogP ≤ 58.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze (4,6-dichloropyrazolo[1,5-a]pyridin-2-yl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone;(4,6-dichloropyrazolo[1,5-a]pyridin-2-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone;(4,6-dichloropyrazolo[1,5-a]pyridin-2-yl)-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4,6-dichloropyrazolo[1,5-a]pyridin-2-yl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone;(4,6-dichloropyrazolo[1,5-a]pyridin-2-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone;(4,6-dichloropyrazolo[1,5-a]pyridin-2-yl)-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone?
The IUPAC name of (4,6-dichloropyrazolo[1,5-a]pyridin-2-yl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone;(4,6-dichloropyrazolo[1,5-a]pyridin-2-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone;(4,6-dichloropyrazolo[1,5-a]pyridin-2-yl)-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone (CID 87676287) is (4,6-dichloropyrazolo[1,5-a]pyridin-2-yl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone;(4,6-dichloropyrazolo[1,5-a]pyridin-2-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone;(4,6-dichloropyrazolo[1,5-a]pyridin-2-yl)-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone.
What is the SMILES notation for (4,6-dichloropyrazolo[1,5-a]pyridin-2-yl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone;(4,6-dichloropyrazolo[1,5-a]pyridin-2-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone;(4,6-dichloropyrazolo[1,5-a]pyridin-2-yl)-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone?
The canonical SMILES for (4,6-dichloropyrazolo[1,5-a]pyridin-2-yl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone;(4,6-dichloropyrazolo[1,5-a]pyridin-2-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone;(4,6-dichloropyrazolo[1,5-a]pyridin-2-yl)-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone is CC1c2cccn2CCN1C(=O)c1cc2c(Cl)cc(Cl)cn2n1.O=C(c1cc2c(Cl)cc(Cl)cn2n1)N1CCn2ccnc2C1.O=C(c1cc2c(Cl)cc(Cl)cn2n1)N1CCn2cnnc2C1.
What is the InChIKey of (4,6-dichloropyrazolo[1,5-a]pyridin-2-yl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone;(4,6-dichloropyrazolo[1,5-a]pyridin-2-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone;(4,6-dichloropyrazolo[1,5-a]pyridin-2-yl)-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone?
The InChIKey is NXSUETKPFWKMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N4O.C14H11Cl2N5O.C13H10Cl2N6O/c1-10-14-3-2-4-20(14)5-6-21(10)16(23)13-8-15-12(18)7-11(17)9-22(15)19-13;15-9-5-10(16)12-6-11(18-21(12)7-9)14(22)20-4-3-19-2-1-17-13(19)8-20;14-8-3-9(15)11-4-10(18-21(11)5-8)13(22)19-1-2-20-7-16-17-12(20)6-19/h2-4,7-10H,5-6H2,1H3;1-2,5-7H,3-4,8H2;3-5,7H,1-2,6H2.
What are the key properties of (4,6-dichloropyrazolo[1,5-a]pyridin-2-yl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone;(4,6-dichloropyrazolo[1,5-a]pyridin-2-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone;(4,6-dichloropyrazolo[1,5-a]pyridin-2-yl)-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone?
(4,6-dichloropyrazolo[1,5-a]pyridin-2-yl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone;(4,6-dichloropyrazolo[1,5-a]pyridin-2-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone;(4,6-dichloropyrazolo[1,5-a]pyridin-2-yl)-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone has a molecular weight of 1022.57 g/mol, XLogP of 8.04, 3 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dichloropyrazolo[1,5-a]pyridin-2-yl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone;(4,6-dichloropyrazolo[1,5-a]pyridin-2-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone;(4,6-dichloropyrazolo[1,5-a]pyridin-2-yl)-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone is sourced from PubChem (CID 87676287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).