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

C14H20N4OS — CID 91831774

IUPAC[1-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol
SMILESCc1nc(CCN2CCc3c(c(CO)nn3C)C2)cs1
InChIInChI=1S/C14H20N4OS/c1-10-15-11(9-20-10)3-5-18-6-4-14-12(7-18)13(8-19)16-17(14)2/h9,19H,3-8H2,1-2H3
InChIKeyPSXMLHVOSHUCTP-UHFFFAOYSA-N
MW292.41 g/mol
LogP1.28
Rot. Bonds4

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

[1-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol (PubChem CID 91831774) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is [1-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol.

Molecular Properties

Compound Name[1-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol
PubChem CID91831774
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name[1-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol
SMILESCc1nc(CCN2CCc3c(c(CO)nn3C)C2)cs1
InChIInChI=1S/C14H20N4OS/c1-10-15-11(9-20-10)3-5-18-6-4-14-12(7-18)13(8-19)16-17(14)2/h9,19H,3-8H2,1-2H3
InChIKeyPSXMLHVOSHUCTP-UHFFFAOYSA-N
XLogP1.28
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol?
The IUPAC name of [1-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol (CID 91831774) is [1-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol.
What is the SMILES notation for [1-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol?
The canonical SMILES for [1-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol is Cc1nc(CCN2CCc3c(c(CO)nn3C)C2)cs1.
What is the InChIKey of [1-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol?
The InChIKey is PSXMLHVOSHUCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-10-15-11(9-20-10)3-5-18-6-4-14-12(7-18)13(8-19)16-17(14)2/h9,19H,3-8H2,1-2H3.
What are the key properties of [1-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol?
[1-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol has a molecular weight of 292.41 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol is sourced from PubChem (CID 91831774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).