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

C24H29N5O2S — CID 26143645

IUPAC1-(cyclopropylmethyl)-5-[(4-methoxyphenyl)methyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCOc1ccc(CN2CCc3c(c(C(=O)N(C)Cc4cscn4)nn3CC3CC3)C2)cc1
InChIInChI=1S/C24H29N5O2S/c1-27(13-19-15-32-16-25-19)24(30)23-21-14-28(11-17-5-7-20(31-2)8-6-17)10-9-22(21)29(26-23)12-18-3-4-18/h5-8,15-16,18H,3-4,9-14H2,1-2H3
InChIKeyWXTNGAKZFLUALR-UHFFFAOYSA-N
MW451.60 g/mol
LogP3.59
Rot. Bonds8

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

1-(cyclopropylmethyl)-5-[(4-methoxyphenyl)methyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 26143645) has the molecular formula C24H29N5O2S and a molecular weight of 451.60 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-5-[(4-methoxyphenyl)methyl]-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-[(4-methoxyphenyl)methyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID26143645
Molecular FormulaC24H29N5O2S
Molecular Weight451.60 g/mol
Exact Mass451.20
IUPAC Name1-(cyclopropylmethyl)-5-[(4-methoxyphenyl)methyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCOc1ccc(CN2CCc3c(c(C(=O)N(C)Cc4cscn4)nn3CC3CC3)C2)cc1
InChIInChI=1S/C24H29N5O2S/c1-27(13-19-15-32-16-25-19)24(30)23-21-14-28(11-17-5-7-20(31-2)8-6-17)10-9-22(21)29(26-23)12-18-3-4-18/h5-8,15-16,18H,3-4,9-14H2,1-2H3
InChIKeyWXTNGAKZFLUALR-UHFFFAOYSA-N
XLogP3.59
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.60
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(cyclopropylmethyl)-5-[(4-methoxyphenyl)methyl]-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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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-5-[(4-methoxyphenyl)methyl]-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-[(4-methoxyphenyl)methyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 26143645) is 1-(cyclopropylmethyl)-5-[(4-methoxyphenyl)methyl]-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-[(4-methoxyphenyl)methyl]-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-[(4-methoxyphenyl)methyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is COc1ccc(CN2CCc3c(c(C(=O)N(C)Cc4cscn4)nn3CC3CC3)C2)cc1.
What is the InChIKey of 1-(cyclopropylmethyl)-5-[(4-methoxyphenyl)methyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is WXTNGAKZFLUALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2S/c1-27(13-19-15-32-16-25-19)24(30)23-21-14-28(11-17-5-7-20(31-2)8-6-17)10-9-22(21)29(26-23)12-18-3-4-18/h5-8,15-16,18H,3-4,9-14H2,1-2H3.
What are the key properties of 1-(cyclopropylmethyl)-5-[(4-methoxyphenyl)methyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
1-(cyclopropylmethyl)-5-[(4-methoxyphenyl)methyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 451.60 g/mol, XLogP of 3.59, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-5-[(4-methoxyphenyl)methyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 26143645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).