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

C19H29N5OS — CID 146641567

IUPACpiperidin-1-yl-[1-propyl-5-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol
SMILESCCCn1nc(C(O)N2CCCCC2)c2c1CCN(Cc1nccs1)C2
InChIInChI=1S/C19H29N5OS/c1-2-8-24-16-6-11-22(14-17-20-7-12-26-17)13-15(16)18(21-24)19(25)23-9-4-3-5-10-23/h7,12,19,25H,2-6,8-11,13-14H2,1H3
InChIKeyJYCXBAILWWIEDI-UHFFFAOYSA-N
MW375.54 g/mol
LogP2.78
Rot. Bonds6

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

piperidin-1-yl-[1-propyl-5-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol (PubChem CID 146641567) has the molecular formula C19H29N5OS and a molecular weight of 375.54 g/mol. Its IUPAC name is piperidin-1-yl-[1-propyl-5-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol.

Molecular Properties

Compound Namepiperidin-1-yl-[1-propyl-5-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol
PubChem CID146641567
Molecular FormulaC19H29N5OS
Molecular Weight375.54 g/mol
Exact Mass375.21
IUPAC Namepiperidin-1-yl-[1-propyl-5-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol
SMILESCCCn1nc(C(O)N2CCCCC2)c2c1CCN(Cc1nccs1)C2
InChIInChI=1S/C19H29N5OS/c1-2-8-24-16-6-11-22(14-17-20-7-12-26-17)13-15(16)18(21-24)19(25)23-9-4-3-5-10-23/h7,12,19,25H,2-6,8-11,13-14H2,1H3
InChIKeyJYCXBAILWWIEDI-UHFFFAOYSA-N
XLogP2.78
TPSA57.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.54
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[1-propyl-5-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol?
The IUPAC name of piperidin-1-yl-[1-propyl-5-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol (CID 146641567) is piperidin-1-yl-[1-propyl-5-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol.
What is the SMILES notation for piperidin-1-yl-[1-propyl-5-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol?
The canonical SMILES for piperidin-1-yl-[1-propyl-5-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol is CCCn1nc(C(O)N2CCCCC2)c2c1CCN(Cc1nccs1)C2.
What is the InChIKey of piperidin-1-yl-[1-propyl-5-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol?
The InChIKey is JYCXBAILWWIEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5OS/c1-2-8-24-16-6-11-22(14-17-20-7-12-26-17)13-15(16)18(21-24)19(25)23-9-4-3-5-10-23/h7,12,19,25H,2-6,8-11,13-14H2,1H3.
What are the key properties of piperidin-1-yl-[1-propyl-5-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol?
piperidin-1-yl-[1-propyl-5-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol has a molecular weight of 375.54 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[1-propyl-5-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol is sourced from PubChem (CID 146641567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).