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

C27H34N6OS — CID 26133141

IUPAC1-(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
SMILESCN(Cc1cscn1)C(=O)c1nn(CC2CC2)c2c1CN(C/C=C/c1ccc(N(C)C)cc1)CC2
InChIInChI=1S/C27H34N6OS/c1-30(2)23-10-8-20(9-11-23)5-4-13-32-14-12-25-24(17-32)26(29-33(25)15-21-6-7-21)27(34)31(3)16-22-18-35-19-28-22/h4-5,8-11,18-19,21H,6-7,12-17H2,1-3H3/b5-4+
InChIKeyLNVAJFYEDPMLSX-SNAWJCMRSA-N
MW490.68 g/mol
LogP4.16
Rot. Bonds9

About 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

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 (PubChem CID 26133141) has the molecular formula C27H34N6OS and a molecular weight of 490.68 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID26133141
Molecular FormulaC27H34N6OS
Molecular Weight490.68 g/mol
Exact Mass490.25
IUPAC Name1-(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
SMILESCN(Cc1cscn1)C(=O)c1nn(CC2CC2)c2c1CN(C/C=C/c1ccc(N(C)C)cc1)CC2
InChIInChI=1S/C27H34N6OS/c1-30(2)23-10-8-20(9-11-23)5-4-13-32-14-12-25-24(17-32)26(29-33(25)15-21-6-7-21)27(34)31(3)16-22-18-35-19-28-22/h4-5,8-11,18-19,21H,6-7,12-17H2,1-3H3/b5-4+
InChIKeyLNVAJFYEDPMLSX-SNAWJCMRSA-N
XLogP4.16
TPSA57.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.68
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(Cc1cscn1)C(=O)c1nn(CC2CC2)c2c1CN(C/C=C/c1ccc(N(C)C)cc1)CC2.
What is the InChIKey of 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?
The InChIKey is LNVAJFYEDPMLSX-SNAWJCMRSA-N. The full InChI is InChI=1S/C27H34N6OS/c1-30(2)23-10-8-20(9-11-23)5-4-13-32-14-12-25-24(17-32)26(29-33(25)15-21-6-7-21)27(34)31(3)16-22-18-35-19-28-22/h4-5,8-11,18-19,21H,6-7,12-17H2,1-3H3/b5-4+.
What are the key properties of 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?
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 has a molecular weight of 490.68 g/mol, XLogP of 4.16, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 26133141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).