N-cyclopropyl-5-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C25H31N7O2S — CID 26231921

IUPACN-cyclopropyl-5-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCc1ncsc1CCn1nc(C(=O)NC2CC2)c2c1CCN(C(=O)c1c3c(nn1C)CCCC3)C2
InChIInChI=1S/C25H31N7O2S/c1-15-21(35-14-26-15)10-12-32-20-9-11-31(13-18(20)22(29-32)24(33)27-16-7-8-16)25(34)23-17-5-3-4-6-19(17)28-30(23)2/h14,16H,3-13H2,1-2H3,(H,27,33)
InChIKeyKQHQPDKRIBSIFQ-UHFFFAOYSA-N
MW493.64 g/mol
LogP2.59
Rot. Bonds6

About N-cyclopropyl-5-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

N-cyclopropyl-5-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 26231921) has the molecular formula C25H31N7O2S and a molecular weight of 493.64 g/mol. Its IUPAC name is N-cyclopropyl-5-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID26231921
Molecular FormulaC25H31N7O2S
Molecular Weight493.64 g/mol
Exact Mass493.23
IUPAC NameN-cyclopropyl-5-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCc1ncsc1CCn1nc(C(=O)NC2CC2)c2c1CCN(C(=O)c1c3c(nn1C)CCCC3)C2
InChIInChI=1S/C25H31N7O2S/c1-15-21(35-14-26-15)10-12-32-20-9-11-31(13-18(20)22(29-32)24(33)27-16-7-8-16)25(34)23-17-5-3-4-6-19(17)28-30(23)2/h14,16H,3-13H2,1-2H3,(H,27,33)
InChIKeyKQHQPDKRIBSIFQ-UHFFFAOYSA-N
XLogP2.59
TPSA97.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.64
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-cyclopropyl-5-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-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 N-cyclopropyl-5-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of N-cyclopropyl-5-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 26231921) is N-cyclopropyl-5-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-5-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is Cc1ncsc1CCn1nc(C(=O)NC2CC2)c2c1CCN(C(=O)c1c3c(nn1C)CCCC3)C2.
What is the InChIKey of N-cyclopropyl-5-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is KQHQPDKRIBSIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O2S/c1-15-21(35-14-26-15)10-12-32-20-9-11-31(13-18(20)22(29-32)24(33)27-16-7-8-16)25(34)23-17-5-3-4-6-19(17)28-30(23)2/h14,16H,3-13H2,1-2H3,(H,27,33).
What are the key properties of N-cyclopropyl-5-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
N-cyclopropyl-5-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 493.64 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 26231921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).