5-[2-(1,3-benzodioxol-5-yl)acetyl]-1-(cyclopropylmethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C25H27N5O4S — CID 26222159

IUPAC5-[2-(1,3-benzodioxol-5-yl)acetyl]-1-(cyclopropylmethyl)-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(=O)Cc1ccc3c(c1)OCO3)CC2
InChIInChI=1S/C25H27N5O4S/c1-28(11-18-13-35-14-26-18)25(32)24-19-12-29(7-6-20(19)30(27-24)10-16-2-3-16)23(31)9-17-4-5-21-22(8-17)34-15-33-21/h4-5,8,13-14,16H,2-3,6-7,9-12,15H2,1H3
InChIKeyDTAUUUVKJDJPRT-UHFFFAOYSA-N
MW493.59 g/mol
LogP2.88
Rot. Bonds7

About 5-[2-(1,3-benzodioxol-5-yl)acetyl]-1-(cyclopropylmethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

5-[2-(1,3-benzodioxol-5-yl)acetyl]-1-(cyclopropylmethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 26222159) has the molecular formula C25H27N5O4S and a molecular weight of 493.59 g/mol. Its IUPAC name is 5-[2-(1,3-benzodioxol-5-yl)acetyl]-1-(cyclopropylmethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[2-(1,3-benzodioxol-5-yl)acetyl]-1-(cyclopropylmethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID26222159
Molecular FormulaC25H27N5O4S
Molecular Weight493.59 g/mol
Exact Mass493.18
IUPAC Name5-[2-(1,3-benzodioxol-5-yl)acetyl]-1-(cyclopropylmethyl)-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(=O)Cc1ccc3c(c1)OCO3)CC2
InChIInChI=1S/C25H27N5O4S/c1-28(11-18-13-35-14-26-18)25(32)24-19-12-29(7-6-20(19)30(27-24)10-16-2-3-16)23(31)9-17-4-5-21-22(8-17)34-15-33-21/h4-5,8,13-14,16H,2-3,6-7,9-12,15H2,1H3
InChIKeyDTAUUUVKJDJPRT-UHFFFAOYSA-N
XLogP2.88
TPSA89.79 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.59
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[2-(1,3-benzodioxol-5-yl)acetyl]-1-(cyclopropylmethyl)-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)-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
5-[2-(1,3-benzodioxol-5-yl)acetyl]-1-(cyclopropylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26231520
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)-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
1-benzyl-N-methyl-5-(3-phenylprop-2-ynoyl)-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26234086
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 55143239
(3R)-1-[2-(1,3-benzodioxol-5-yl)acetyl]-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-5-one
CID 95545466
N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-5-(2-thiophen-2-ylacetyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 53066603
2-(1,3-benzodioxol-5-yl)-1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone
CID 162625550
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
1-[2-(1,3-benzodioxol-5-yl)acetyl]piperidin-4-one
CID 82132978

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1,3-benzodioxol-5-yl)acetyl]-1-(cyclopropylmethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 5-[2-(1,3-benzodioxol-5-yl)acetyl]-1-(cyclopropylmethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 26222159) is 5-[2-(1,3-benzodioxol-5-yl)acetyl]-1-(cyclopropylmethyl)-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 5-[2-(1,3-benzodioxol-5-yl)acetyl]-1-(cyclopropylmethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 5-[2-(1,3-benzodioxol-5-yl)acetyl]-1-(cyclopropylmethyl)-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(=O)Cc1ccc3c(c1)OCO3)CC2.
What is the InChIKey of 5-[2-(1,3-benzodioxol-5-yl)acetyl]-1-(cyclopropylmethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is DTAUUUVKJDJPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O4S/c1-28(11-18-13-35-14-26-18)25(32)24-19-12-29(7-6-20(19)30(27-24)10-16-2-3-16)23(31)9-17-4-5-21-22(8-17)34-15-33-21/h4-5,8,13-14,16H,2-3,6-7,9-12,15H2,1H3.
What are the key properties of 5-[2-(1,3-benzodioxol-5-yl)acetyl]-1-(cyclopropylmethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
5-[2-(1,3-benzodioxol-5-yl)acetyl]-1-(cyclopropylmethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 493.59 g/mol, XLogP of 2.88, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1,3-benzodioxol-5-yl)acetyl]-1-(cyclopropylmethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 26222159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).