ethyl 1-(3-phenylpropyl)-5-(3-pyrazin-2-ylpropanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

C25H29N5O3 — CID 26134929

IUPACethyl 1-(3-phenylpropyl)-5-(3-pyrazin-2-ylpropanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(CCCc2ccccc2)c2c1CN(C(=O)CCc1cnccn1)CC2
InChIInChI=1S/C25H29N5O3/c1-2-33-25(32)24-21-18-29(23(31)11-10-20-17-26-13-14-27-20)16-12-22(21)30(28-24)15-6-9-19-7-4-3-5-8-19/h3-5,7-8,13-14,17H,2,6,9-12,15-16,18H2,1H3
InChIKeyIMMUIUDQNVYAFP-UHFFFAOYSA-N
MW447.54 g/mol
LogP3.00
Rot. Bonds9

About ethyl 1-(3-phenylpropyl)-5-(3-pyrazin-2-ylpropanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

ethyl 1-(3-phenylpropyl)-5-(3-pyrazin-2-ylpropanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (PubChem CID 26134929) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is ethyl 1-(3-phenylpropyl)-5-(3-pyrazin-2-ylpropanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-phenylpropyl)-5-(3-pyrazin-2-ylpropanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
PubChem CID26134929
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC Nameethyl 1-(3-phenylpropyl)-5-(3-pyrazin-2-ylpropanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(CCCc2ccccc2)c2c1CN(C(=O)CCc1cnccn1)CC2
InChIInChI=1S/C25H29N5O3/c1-2-33-25(32)24-21-18-29(23(31)11-10-20-17-26-13-14-27-20)16-12-22(21)30(28-24)15-6-9-19-7-4-3-5-8-19/h3-5,7-8,13-14,17H,2,6,9-12,15-16,18H2,1H3
InChIKeyIMMUIUDQNVYAFP-UHFFFAOYSA-N
XLogP3.00
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Ethyl 1-(2-methylphenyl)-3-pyridin-3-ylpyrazole-5-carboxylate
CID 2405912
3-[[Cyclohexylcarbamoyl-(1,3-dimethyl-1H-pyrazol-4-yl)-methyl]-(pyrazine-2-carbonyl)-amino]-benzoic acid methyl ester
CID 3185081
Ethyl 3-[(pyrazolo[1,5-a]pyridin-2-ylcarbonyl)amino]benzoate
CID 16024845
Ethyl 1-(3-methylbenzoyl)pyrazolo[4,3-c]pyridine-3-carboxylate
CID 162660835
Ethyl 1-(cyclopropanecarbonyl)pyrazolo[4,3-c]pyridine-3-carboxylate
CID 162662219
Ethyl 4-(pyrazolo[1,5-a]pyridine-2-carbonylamino)benzoate
CID 20868507
Ethyl 2-phenyl-5-pyridin-3-ylpyrazole-3-carboxylate
CID 2342155
ethyl 5-[(5-methyl-1H-pyrazol-3-yl)carbonyl]-1-(2-phenylethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26227076
Benzyl 2-(1-methylpyrazol-3-yl)pyridine-4-carboxylate
CID 164609283
Ethyl 2-(1-methyl-4-phenylpyrazol-3-yl)pyridine-4-carboxylate
CID 156770113
US11767310, Example 8
CID 167466540
ethyl 1-methyl-5-(2-phenylquinoline-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 52942336

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-phenylpropyl)-5-(3-pyrazin-2-ylpropanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The IUPAC name of ethyl 1-(3-phenylpropyl)-5-(3-pyrazin-2-ylpropanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (CID 26134929) is ethyl 1-(3-phenylpropyl)-5-(3-pyrazin-2-ylpropanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-(3-phenylpropyl)-5-(3-pyrazin-2-ylpropanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 1-(3-phenylpropyl)-5-(3-pyrazin-2-ylpropanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is CCOC(=O)c1nn(CCCc2ccccc2)c2c1CN(C(=O)CCc1cnccn1)CC2.
What is the InChIKey of ethyl 1-(3-phenylpropyl)-5-(3-pyrazin-2-ylpropanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The InChIKey is IMMUIUDQNVYAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3/c1-2-33-25(32)24-21-18-29(23(31)11-10-20-17-26-13-14-27-20)16-12-22(21)30(28-24)15-6-9-19-7-4-3-5-8-19/h3-5,7-8,13-14,17H,2,6,9-12,15-16,18H2,1H3.
What are the key properties of ethyl 1-(3-phenylpropyl)-5-(3-pyrazin-2-ylpropanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
ethyl 1-(3-phenylpropyl)-5-(3-pyrazin-2-ylpropanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate has a molecular weight of 447.54 g/mol, XLogP of 3.00, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-phenylpropyl)-5-(3-pyrazin-2-ylpropanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 26134929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).