1-(cyclopropylmethyl)-N-ethyl-5-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C19H22N6O2S — CID 26137071

IUPAC1-(cyclopropylmethyl)-N-ethyl-5-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCCNC(=O)c1nn(CC2CC2)c2c1CN(C(=O)c1cn3ccsc3n1)CC2
InChIInChI=1S/C19H22N6O2S/c1-2-20-17(26)16-13-10-23(6-5-15(13)25(22-16)9-12-3-4-12)18(27)14-11-24-7-8-28-19(24)21-14/h7-8,11-12H,2-6,9-10H2,1H3,(H,20,26)
InChIKeyPRSWXESIELOAMU-UHFFFAOYSA-N
MW398.49 g/mol
LogP1.95
Rot. Bonds5

About 1-(cyclopropylmethyl)-N-ethyl-5-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

1-(cyclopropylmethyl)-N-ethyl-5-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 26137071) has the molecular formula C19H22N6O2S and a molecular weight of 398.49 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-N-ethyl-5-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-N-ethyl-5-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID26137071
Molecular FormulaC19H22N6O2S
Molecular Weight398.49 g/mol
Exact Mass398.15
IUPAC Name1-(cyclopropylmethyl)-N-ethyl-5-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCCNC(=O)c1nn(CC2CC2)c2c1CN(C(=O)c1cn3ccsc3n1)CC2
InChIInChI=1S/C19H22N6O2S/c1-2-20-17(26)16-13-10-23(6-5-15(13)25(22-16)9-12-3-4-12)18(27)14-11-24-7-8-28-19(24)21-14/h7-8,11-12H,2-6,9-10H2,1H3,(H,20,26)
InChIKeyPRSWXESIELOAMU-UHFFFAOYSA-N
XLogP1.95
TPSA84.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-N-ethyl-5-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 1-(cyclopropylmethyl)-N-ethyl-5-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 26137071) is 1-(cyclopropylmethyl)-N-ethyl-5-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-(cyclopropylmethyl)-N-ethyl-5-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 1-(cyclopropylmethyl)-N-ethyl-5-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is CCNC(=O)c1nn(CC2CC2)c2c1CN(C(=O)c1cn3ccsc3n1)CC2.
What is the InChIKey of 1-(cyclopropylmethyl)-N-ethyl-5-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is PRSWXESIELOAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2S/c1-2-20-17(26)16-13-10-23(6-5-15(13)25(22-16)9-12-3-4-12)18(27)14-11-24-7-8-28-19(24)21-14/h7-8,11-12H,2-6,9-10H2,1H3,(H,20,26).
What are the key properties of 1-(cyclopropylmethyl)-N-ethyl-5-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
1-(cyclopropylmethyl)-N-ethyl-5-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 398.49 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-N-ethyl-5-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 26137071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).