ethyl 5-(imidazo[1,2-a]pyridine-2-carbonyl)-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

C25H25N5O4 — CID 26142102

IUPACethyl 5-(imidazo[1,2-a]pyridine-2-carbonyl)-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(Cc2ccc(OC)cc2)c2c1CN(C(=O)c1cn3ccccc3n1)CC2
InChIInChI=1S/C25H25N5O4/c1-3-34-25(32)23-19-15-29(24(31)20-16-28-12-5-4-6-22(28)26-20)13-11-21(19)30(27-23)14-17-7-9-18(33-2)10-8-17/h4-10,12,16H,3,11,13-15H2,1-2H3
InChIKeyPKEOEURNVJATQW-UHFFFAOYSA-N
MW459.51 g/mol
LogP2.96
Rot. Bonds6

About ethyl 5-(imidazo[1,2-a]pyridine-2-carbonyl)-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

ethyl 5-(imidazo[1,2-a]pyridine-2-carbonyl)-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (PubChem CID 26142102) has the molecular formula C25H25N5O4 and a molecular weight of 459.51 g/mol. Its IUPAC name is ethyl 5-(imidazo[1,2-a]pyridine-2-carbonyl)-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(imidazo[1,2-a]pyridine-2-carbonyl)-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
PubChem CID26142102
Molecular FormulaC25H25N5O4
Molecular Weight459.51 g/mol
Exact Mass459.19
IUPAC Nameethyl 5-(imidazo[1,2-a]pyridine-2-carbonyl)-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(Cc2ccc(OC)cc2)c2c1CN(C(=O)c1cn3ccccc3n1)CC2
InChIInChI=1S/C25H25N5O4/c1-3-34-25(32)23-19-15-29(24(31)20-16-28-12-5-4-6-22(28)26-20)13-11-21(19)30(27-23)14-17-7-9-18(33-2)10-8-17/h4-10,12,16H,3,11,13-15H2,1-2H3
InChIKeyPKEOEURNVJATQW-UHFFFAOYSA-N
XLogP2.96
TPSA90.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.51
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(imidazo[1,2-a]pyridine-2-carbonyl)-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-(imidazo[1,2-a]pyridine-2-carbonyl)-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (CID 26142102) is ethyl 5-(imidazo[1,2-a]pyridine-2-carbonyl)-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-(imidazo[1,2-a]pyridine-2-carbonyl)-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-(imidazo[1,2-a]pyridine-2-carbonyl)-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is CCOC(=O)c1nn(Cc2ccc(OC)cc2)c2c1CN(C(=O)c1cn3ccccc3n1)CC2.
What is the InChIKey of ethyl 5-(imidazo[1,2-a]pyridine-2-carbonyl)-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The InChIKey is PKEOEURNVJATQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O4/c1-3-34-25(32)23-19-15-29(24(31)20-16-28-12-5-4-6-22(28)26-20)13-11-21(19)30(27-23)14-17-7-9-18(33-2)10-8-17/h4-10,12,16H,3,11,13-15H2,1-2H3.
What are the key properties of ethyl 5-(imidazo[1,2-a]pyridine-2-carbonyl)-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
ethyl 5-(imidazo[1,2-a]pyridine-2-carbonyl)-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate has a molecular weight of 459.51 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(imidazo[1,2-a]pyridine-2-carbonyl)-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 26142102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).