[1-[6-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methylamino]-3-pyridinyl]piperidin-4-yl]methanol

C19H24N6OS — CID 119044457

IUPAC[1-[6-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methylamino]-3-pyridinyl]piperidin-4-yl]methanol
SMILESCn1cc(-c2csc(CNc3ccc(N4CCC(CO)CC4)cn3)n2)cn1
InChIInChI=1S/C19H24N6OS/c1-24-11-15(8-22-24)17-13-27-19(23-17)10-21-18-3-2-16(9-20-18)25-6-4-14(12-26)5-7-25/h2-3,8-9,11,13-14,26H,4-7,10,12H2,1H3,(H,20,21)
InChIKeyHMLCXUGPMZFIJF-UHFFFAOYSA-N
MW384.51 g/mol
LogP2.76
Rot. Bonds6

About [1-[6-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methylamino]-3-pyridinyl]piperidin-4-yl]methanol

[1-[6-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methylamino]-3-pyridinyl]piperidin-4-yl]methanol (PubChem CID 119044457) has the molecular formula C19H24N6OS and a molecular weight of 384.51 g/mol. Its IUPAC name is [1-[6-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methylamino]-3-pyridinyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[6-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methylamino]-3-pyridinyl]piperidin-4-yl]methanol
PubChem CID119044457
Molecular FormulaC19H24N6OS
Molecular Weight384.51 g/mol
Exact Mass384.17
IUPAC Name[1-[6-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methylamino]-3-pyridinyl]piperidin-4-yl]methanol
SMILESCn1cc(-c2csc(CNc3ccc(N4CCC(CO)CC4)cn3)n2)cn1
InChIInChI=1S/C19H24N6OS/c1-24-11-15(8-22-24)17-13-27-19(23-17)10-21-18-3-2-16(9-20-18)25-6-4-14(12-26)5-7-25/h2-3,8-9,11,13-14,26H,4-7,10,12H2,1H3,(H,20,21)
InChIKeyHMLCXUGPMZFIJF-UHFFFAOYSA-N
XLogP2.76
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [1-[6-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methylamino]-3-pyridinyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[6-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methylamino]-3-pyridinyl]piperidin-4-yl]methanol (CID 119044457) is [1-[6-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methylamino]-3-pyridinyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[6-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methylamino]-3-pyridinyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[6-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methylamino]-3-pyridinyl]piperidin-4-yl]methanol is Cn1cc(-c2csc(CNc3ccc(N4CCC(CO)CC4)cn3)n2)cn1.
What is the InChIKey of [1-[6-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methylamino]-3-pyridinyl]piperidin-4-yl]methanol?
The InChIKey is HMLCXUGPMZFIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6OS/c1-24-11-15(8-22-24)17-13-27-19(23-17)10-21-18-3-2-16(9-20-18)25-6-4-14(12-26)5-7-25/h2-3,8-9,11,13-14,26H,4-7,10,12H2,1H3,(H,20,21).
What are the key properties of [1-[6-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methylamino]-3-pyridinyl]piperidin-4-yl]methanol?
[1-[6-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methylamino]-3-pyridinyl]piperidin-4-yl]methanol has a molecular weight of 384.51 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methylamino]-3-pyridinyl]piperidin-4-yl]methanol is sourced from PubChem (CID 119044457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).