2-chloro-N-(2,8-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)-4-imidazo[4,5-b]pyridin-1-ylbenzamide

C26H23ClN6O — CID 122473116

IUPAC2-chloro-N-(2,8-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)-4-imidazo[4,5-b]pyridin-1-ylbenzamide
SMILESCc1ccc2c3c(nn2c1)CCC(C)(NC(=O)c1ccc(-n2cnc4ncccc42)cc1Cl)C3
InChIInChI=1S/C26H23ClN6O/c1-16-5-8-22-19-13-26(2,10-9-21(19)31-33(22)14-16)30-25(34)18-7-6-17(12-20(18)27)32-15-29-24-23(32)4-3-11-28-24/h3-8,11-12,14-15H,9-10,13H2,1-2H3,(H,30,34)
InChIKeyPVAJUGYFXXEDMJ-UHFFFAOYSA-N
MW470.96 g/mol
LogP4.71
Rot. Bonds3

About 2-chloro-N-(2,8-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)-4-imidazo[4,5-b]pyridin-1-ylbenzamide

2-chloro-N-(2,8-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)-4-imidazo[4,5-b]pyridin-1-ylbenzamide (PubChem CID 122473116) has the molecular formula C26H23ClN6O and a molecular weight of 470.96 g/mol. Its IUPAC name is 2-chloro-N-(2,8-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)-4-imidazo[4,5-b]pyridin-1-ylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(2,8-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)-4-imidazo[4,5-b]pyridin-1-ylbenzamide
PubChem CID122473116
Molecular FormulaC26H23ClN6O
Molecular Weight470.96 g/mol
Exact Mass470.16
IUPAC Name2-chloro-N-(2,8-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)-4-imidazo[4,5-b]pyridin-1-ylbenzamide
SMILESCc1ccc2c3c(nn2c1)CCC(C)(NC(=O)c1ccc(-n2cnc4ncccc42)cc1Cl)C3
InChIInChI=1S/C26H23ClN6O/c1-16-5-8-22-19-13-26(2,10-9-21(19)31-33(22)14-16)30-25(34)18-7-6-17(12-20(18)27)32-15-29-24-23(32)4-3-11-28-24/h3-8,11-12,14-15H,9-10,13H2,1-2H3,(H,30,34)
InChIKeyPVAJUGYFXXEDMJ-UHFFFAOYSA-N
XLogP4.71
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.96
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,8-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)-4-imidazo[4,5-b]pyridin-1-ylbenzamide?
The IUPAC name of 2-chloro-N-(2,8-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)-4-imidazo[4,5-b]pyridin-1-ylbenzamide (CID 122473116) is 2-chloro-N-(2,8-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)-4-imidazo[4,5-b]pyridin-1-ylbenzamide.
What is the SMILES notation for 2-chloro-N-(2,8-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)-4-imidazo[4,5-b]pyridin-1-ylbenzamide?
The canonical SMILES for 2-chloro-N-(2,8-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)-4-imidazo[4,5-b]pyridin-1-ylbenzamide is Cc1ccc2c3c(nn2c1)CCC(C)(NC(=O)c1ccc(-n2cnc4ncccc42)cc1Cl)C3.
What is the InChIKey of 2-chloro-N-(2,8-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)-4-imidazo[4,5-b]pyridin-1-ylbenzamide?
The InChIKey is PVAJUGYFXXEDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN6O/c1-16-5-8-22-19-13-26(2,10-9-21(19)31-33(22)14-16)30-25(34)18-7-6-17(12-20(18)27)32-15-29-24-23(32)4-3-11-28-24/h3-8,11-12,14-15H,9-10,13H2,1-2H3,(H,30,34).
What are the key properties of 2-chloro-N-(2,8-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)-4-imidazo[4,5-b]pyridin-1-ylbenzamide?
2-chloro-N-(2,8-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)-4-imidazo[4,5-b]pyridin-1-ylbenzamide has a molecular weight of 470.96 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,8-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)-4-imidazo[4,5-b]pyridin-1-ylbenzamide is sourced from PubChem (CID 122473116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).