[1-ethyl-5-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol

C17H25N5OS — CID 77082707

IUPAC[1-ethyl-5-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol
SMILESCCn1nc(CO)c2c1CCN(Cc1cnc(N3CCCC3)s1)C2
InChIInChI=1S/C17H25N5OS/c1-2-22-16-5-8-20(11-14(16)15(12-23)19-22)10-13-9-18-17(24-13)21-6-3-4-7-21/h9,23H,2-8,10-12H2,1H3
InChIKeyPXXZMQHYVODGLR-UHFFFAOYSA-N
MW347.49 g/mol
LogP2.01
Rot. Bonds5

About [1-ethyl-5-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol

[1-ethyl-5-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol (PubChem CID 77082707) has the molecular formula C17H25N5OS and a molecular weight of 347.49 g/mol. Its IUPAC name is [1-ethyl-5-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol.

Molecular Properties

Compound Name[1-ethyl-5-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol
PubChem CID77082707
Molecular FormulaC17H25N5OS
Molecular Weight347.49 g/mol
Exact Mass347.18
IUPAC Name[1-ethyl-5-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol
SMILESCCn1nc(CO)c2c1CCN(Cc1cnc(N3CCCC3)s1)C2
InChIInChI=1S/C17H25N5OS/c1-2-22-16-5-8-20(11-14(16)15(12-23)19-22)10-13-9-18-17(24-13)21-6-3-4-7-21/h9,23H,2-8,10-12H2,1H3
InChIKeyPXXZMQHYVODGLR-UHFFFAOYSA-N
XLogP2.01
TPSA57.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [1-ethyl-5-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-ethyl-5-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol?
The IUPAC name of [1-ethyl-5-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol (CID 77082707) is [1-ethyl-5-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol.
What is the SMILES notation for [1-ethyl-5-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol?
The canonical SMILES for [1-ethyl-5-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol is CCn1nc(CO)c2c1CCN(Cc1cnc(N3CCCC3)s1)C2.
What is the InChIKey of [1-ethyl-5-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol?
The InChIKey is PXXZMQHYVODGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5OS/c1-2-22-16-5-8-20(11-14(16)15(12-23)19-22)10-13-9-18-17(24-13)21-6-3-4-7-21/h9,23H,2-8,10-12H2,1H3.
What are the key properties of [1-ethyl-5-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol?
[1-ethyl-5-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol has a molecular weight of 347.49 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-5-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol is sourced from PubChem (CID 77082707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).