1-[2-[3-chloro-4-(1-pyrazin-2-ylethoxy)pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-6-yl]prop-2-en-1-one

C24H24ClN7O2 — CID 178130311

IUPAC1-[2-[3-chloro-4-(1-pyrazin-2-ylethoxy)pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-6-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCc2c(C)c(-c3cc(OC(C)c4cnccn4)c4c(Cl)cnn4c3)nn2CC1
InChIInChI=1S/C24H24ClN7O2/c1-4-22(33)30-8-5-20-15(2)23(29-31(20)10-9-30)17-11-21(24-18(25)12-28-32(24)14-17)34-16(3)19-13-26-6-7-27-19/h4,6-7,11-14,16H,1,5,8-10H2,2-3H3
InChIKeyKIFKSHXIIANDPH-UHFFFAOYSA-N
MW477.96 g/mol
LogP3.66
Rot. Bonds5

About 1-[2-[3-chloro-4-(1-pyrazin-2-ylethoxy)pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-6-yl]prop-2-en-1-one

1-[2-[3-chloro-4-(1-pyrazin-2-ylethoxy)pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-6-yl]prop-2-en-1-one (PubChem CID 178130311) has the molecular formula C24H24ClN7O2 and a molecular weight of 477.96 g/mol. Its IUPAC name is 1-[2-[3-chloro-4-(1-pyrazin-2-ylethoxy)pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-6-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[2-[3-chloro-4-(1-pyrazin-2-ylethoxy)pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-6-yl]prop-2-en-1-one
PubChem CID178130311
Molecular FormulaC24H24ClN7O2
Molecular Weight477.96 g/mol
Exact Mass477.17
IUPAC Name1-[2-[3-chloro-4-(1-pyrazin-2-ylethoxy)pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-6-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCc2c(C)c(-c3cc(OC(C)c4cnccn4)c4c(Cl)cnn4c3)nn2CC1
InChIInChI=1S/C24H24ClN7O2/c1-4-22(33)30-8-5-20-15(2)23(29-31(20)10-9-30)17-11-21(24-18(25)12-28-32(24)14-17)34-16(3)19-13-26-6-7-27-19/h4,6-7,11-14,16H,1,5,8-10H2,2-3H3
InChIKeyKIFKSHXIIANDPH-UHFFFAOYSA-N
XLogP3.66
TPSA90.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.96
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-[2-[3-chloro-4-(1-pyrazin-2-ylethoxy)pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-6-yl]prop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-chloro-4-(1-pyrazin-2-ylethoxy)pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-6-yl]prop-2-en-1-one?
The IUPAC name of 1-[2-[3-chloro-4-(1-pyrazin-2-ylethoxy)pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-6-yl]prop-2-en-1-one (CID 178130311) is 1-[2-[3-chloro-4-(1-pyrazin-2-ylethoxy)pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-6-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[2-[3-chloro-4-(1-pyrazin-2-ylethoxy)pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-6-yl]prop-2-en-1-one?
The canonical SMILES for 1-[2-[3-chloro-4-(1-pyrazin-2-ylethoxy)pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-6-yl]prop-2-en-1-one is C=CC(=O)N1CCc2c(C)c(-c3cc(OC(C)c4cnccn4)c4c(Cl)cnn4c3)nn2CC1.
What is the InChIKey of 1-[2-[3-chloro-4-(1-pyrazin-2-ylethoxy)pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-6-yl]prop-2-en-1-one?
The InChIKey is KIFKSHXIIANDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN7O2/c1-4-22(33)30-8-5-20-15(2)23(29-31(20)10-9-30)17-11-21(24-18(25)12-28-32(24)14-17)34-16(3)19-13-26-6-7-27-19/h4,6-7,11-14,16H,1,5,8-10H2,2-3H3.
What are the key properties of 1-[2-[3-chloro-4-(1-pyrazin-2-ylethoxy)pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-6-yl]prop-2-en-1-one?
1-[2-[3-chloro-4-(1-pyrazin-2-ylethoxy)pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-6-yl]prop-2-en-1-one has a molecular weight of 477.96 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-chloro-4-(1-pyrazin-2-ylethoxy)pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-6-yl]prop-2-en-1-one is sourced from PubChem (CID 178130311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).