1-(cyclopropylmethyl)-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C26H31N5O3S — CID 26214554

IUPAC1-(cyclopropylmethyl)-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCOc1cc(/C=C/CN2CCc3c(c(C(=O)N(C)Cc4cscn4)nn3CC3CC3)C2)ccc1O
InChIInChI=1S/C26H31N5O3S/c1-29(14-20-16-35-17-27-20)26(33)25-21-15-30(11-9-22(21)31(28-25)13-19-5-6-19)10-3-4-18-7-8-23(32)24(12-18)34-2/h3-4,7-8,12,16-17,19,32H,5-6,9-11,13-15H2,1-2H3/b4-3+
InChIKeyGAJBNLUZUHRLNF-ONEGZZNKSA-N
MW493.63 g/mol
LogP3.81
Rot. Bonds9

About 1-(cyclopropylmethyl)-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

1-(cyclopropylmethyl)-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 26214554) has the molecular formula C26H31N5O3S and a molecular weight of 493.63 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID26214554
Molecular FormulaC26H31N5O3S
Molecular Weight493.63 g/mol
Exact Mass493.21
IUPAC Name1-(cyclopropylmethyl)-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCOc1cc(/C=C/CN2CCc3c(c(C(=O)N(C)Cc4cscn4)nn3CC3CC3)C2)ccc1O
InChIInChI=1S/C26H31N5O3S/c1-29(14-20-16-35-17-27-20)26(33)25-21-15-30(11-9-22(21)31(28-25)13-19-5-6-19)10-3-4-18-7-8-23(32)24(12-18)34-2/h3-4,7-8,12,16-17,19,32H,5-6,9-11,13-15H2,1-2H3/b4-3+
InChIKeyGAJBNLUZUHRLNF-ONEGZZNKSA-N
XLogP3.81
TPSA83.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.63
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-(cyclopropylmethyl)-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide with MolForge

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Related Compounds

1-(cyclopropylmethyl)-5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26133141
1-(cyclopropylmethyl)-N-methyl-5-(1-methylpiperidine-2-carbonyl)-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 45163183
1-(cyclopropylmethyl)-N-methyl-5-(naphthalene-1-carbonyl)-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26227985
3-(cyclohex-3-en-1-ylmethyl)-9-methoxy-N-methyl-7-oxo-N-(1,3-thiazol-4-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide
CID 126464955
(2S)-1-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]pyrrolidine-2-carboxylic acid
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CID 45219982
3-[(2,4-dimethylphenyl)methyl]-9-methoxy-N-methyl-7-oxo-N-(1,3-thiazol-4-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide
CID 30852325
9-methoxy-N-methyl-3-[2-(3-methylphenyl)acetyl]-7-oxo-N-(1,3-thiazol-4-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide
CID 42500815
methyl 3-[[5-[(5-acetamidothiophen-2-yl)methyl]-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]amino]propanoate
CID 26146825
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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 1-(cyclopropylmethyl)-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 26214554) is 1-(cyclopropylmethyl)-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-(cyclopropylmethyl)-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 1-(cyclopropylmethyl)-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is COc1cc(/C=C/CN2CCc3c(c(C(=O)N(C)Cc4cscn4)nn3CC3CC3)C2)ccc1O.
What is the InChIKey of 1-(cyclopropylmethyl)-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is GAJBNLUZUHRLNF-ONEGZZNKSA-N. The full InChI is InChI=1S/C26H31N5O3S/c1-29(14-20-16-35-17-27-20)26(33)25-21-15-30(11-9-22(21)31(28-25)13-19-5-6-19)10-3-4-18-7-8-23(32)24(12-18)34-2/h3-4,7-8,12,16-17,19,32H,5-6,9-11,13-15H2,1-2H3/b4-3+.
What are the key properties of 1-(cyclopropylmethyl)-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
1-(cyclopropylmethyl)-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 493.63 g/mol, XLogP of 3.81, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 26214554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).