N-cyclopentyl-1-(2-methylpropyl)-5-(1,3-thiazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C20H27N5O2S — CID 26136240

IUPACN-cyclopentyl-1-(2-methylpropyl)-5-(1,3-thiazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCC(C)Cn1nc(C(=O)NC2CCCC2)c2c1CCN(C(=O)c1cncs1)C2
InChIInChI=1S/C20H27N5O2S/c1-13(2)10-25-16-7-8-24(20(27)17-9-21-12-28-17)11-15(16)18(23-25)19(26)22-14-5-3-4-6-14/h9,12-14H,3-8,10-11H2,1-2H3,(H,22,26)
InChIKeyHDQZZTVNIGVEAO-UHFFFAOYSA-N
MW401.54 g/mol
LogP2.87
Rot. Bonds5

About N-cyclopentyl-1-(2-methylpropyl)-5-(1,3-thiazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

N-cyclopentyl-1-(2-methylpropyl)-5-(1,3-thiazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 26136240) has the molecular formula C20H27N5O2S and a molecular weight of 401.54 g/mol. Its IUPAC name is N-cyclopentyl-1-(2-methylpropyl)-5-(1,3-thiazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-(2-methylpropyl)-5-(1,3-thiazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID26136240
Molecular FormulaC20H27N5O2S
Molecular Weight401.54 g/mol
Exact Mass401.19
IUPAC NameN-cyclopentyl-1-(2-methylpropyl)-5-(1,3-thiazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCC(C)Cn1nc(C(=O)NC2CCCC2)c2c1CCN(C(=O)c1cncs1)C2
InChIInChI=1S/C20H27N5O2S/c1-13(2)10-25-16-7-8-24(20(27)17-9-21-12-28-17)11-15(16)18(23-25)19(26)22-14-5-3-4-6-14/h9,12-14H,3-8,10-11H2,1-2H3,(H,22,26)
InChIKeyHDQZZTVNIGVEAO-UHFFFAOYSA-N
XLogP2.87
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.54
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-(2-methylpropyl)-5-(1,3-thiazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of N-cyclopentyl-1-(2-methylpropyl)-5-(1,3-thiazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 26136240) is N-cyclopentyl-1-(2-methylpropyl)-5-(1,3-thiazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-(2-methylpropyl)-5-(1,3-thiazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-1-(2-methylpropyl)-5-(1,3-thiazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is CC(C)Cn1nc(C(=O)NC2CCCC2)c2c1CCN(C(=O)c1cncs1)C2.
What is the InChIKey of N-cyclopentyl-1-(2-methylpropyl)-5-(1,3-thiazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is HDQZZTVNIGVEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2S/c1-13(2)10-25-16-7-8-24(20(27)17-9-21-12-28-17)11-15(16)18(23-25)19(26)22-14-5-3-4-6-14/h9,12-14H,3-8,10-11H2,1-2H3,(H,22,26).
What are the key properties of N-cyclopentyl-1-(2-methylpropyl)-5-(1,3-thiazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
N-cyclopentyl-1-(2-methylpropyl)-5-(1,3-thiazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 401.54 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-(2-methylpropyl)-5-(1,3-thiazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 26136240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).