1-[1-benzyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone

C25H26N6O3S — CID 26221338

IUPAC1-[1-benzyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
SMILESO=C(Cc1cn2ccsc2n1)N1CCc2c(c(C(=O)N3CCOCC3)nn2Cc2ccccc2)C1
InChIInChI=1S/C25H26N6O3S/c32-22(14-19-16-30-10-13-35-25(30)26-19)29-7-6-21-20(17-29)23(24(33)28-8-11-34-12-9-28)27-31(21)15-18-4-2-1-3-5-18/h1-5,10,13,16H,6-9,11-12,14-15,17H2
InChIKeyPWZUWQZZBKSNIM-UHFFFAOYSA-N
MW490.59 g/mol
LogP2.24
Rot. Bonds5

About 1-[1-benzyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone

1-[1-benzyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone (PubChem CID 26221338) has the molecular formula C25H26N6O3S and a molecular weight of 490.59 g/mol. Its IUPAC name is 1-[1-benzyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone.

Molecular Properties

Compound Name1-[1-benzyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
PubChem CID26221338
Molecular FormulaC25H26N6O3S
Molecular Weight490.59 g/mol
Exact Mass490.18
IUPAC Name1-[1-benzyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
SMILESO=C(Cc1cn2ccsc2n1)N1CCc2c(c(C(=O)N3CCOCC3)nn2Cc2ccccc2)C1
InChIInChI=1S/C25H26N6O3S/c32-22(14-19-16-30-10-13-35-25(30)26-19)29-7-6-21-20(17-29)23(24(33)28-8-11-34-12-9-28)27-31(21)15-18-4-2-1-3-5-18/h1-5,10,13,16H,6-9,11-12,14-15,17H2
InChIKeyPWZUWQZZBKSNIM-UHFFFAOYSA-N
XLogP2.24
TPSA84.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.59
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[1-benzyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone with MolForge

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Related Compounds

ethyl 5-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26135313
[1-benzyl-5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-morpholin-4-ylmethanone
CID 26226175
[1-benzyl-5-[(4-hydroxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-morpholin-4-ylmethanone
CID 26234223
2-(2-fluorophenyl)-1-[3-(morpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 26139219
[1-benzyl-5-[(3-methylquinoxalin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-morpholin-4-ylmethanone
CID 26140975
ethyl 1-benzyl-5-(2-thiophen-2-ylacetyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26139179
2,2-dimethyl-1-[3-(morpholine-4-carbonyl)-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one
CID 26137509
[3-(morpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-naphthalen-2-ylmethanone
CID 26139731
[3-(morpholine-4-carbonyl)-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone
CID 26227260
(2-methylpyrazol-3-yl)-[3-(morpholine-4-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
CID 26222128
1-[3-(morpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenylpropan-1-one
CID 45159384
3-[3-(morpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-2,3-dihydroinden-1-one
CID 45162939

Frequently Asked Questions

What is the IUPAC name of 1-[1-benzyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
The IUPAC name of 1-[1-benzyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone (CID 26221338) is 1-[1-benzyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone.
What is the SMILES notation for 1-[1-benzyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
The canonical SMILES for 1-[1-benzyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone is O=C(Cc1cn2ccsc2n1)N1CCc2c(c(C(=O)N3CCOCC3)nn2Cc2ccccc2)C1.
What is the InChIKey of 1-[1-benzyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
The InChIKey is PWZUWQZZBKSNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O3S/c32-22(14-19-16-30-10-13-35-25(30)26-19)29-7-6-21-20(17-29)23(24(33)28-8-11-34-12-9-28)27-31(21)15-18-4-2-1-3-5-18/h1-5,10,13,16H,6-9,11-12,14-15,17H2.
What are the key properties of 1-[1-benzyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
1-[1-benzyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone has a molecular weight of 490.59 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-benzyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone is sourced from PubChem (CID 26221338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).