4-[[2-chloro-5-[5-(2-hydroxypropan-2-yl)-1-methylpyrazol-3-yl]-4-pyridinyl]amino]-1-methylcyclohexan-1-ol

C19H27ClN4O2 — CID 167426004

IUPAC4-[[2-chloro-5-[5-(2-hydroxypropan-2-yl)-1-methylpyrazol-3-yl]-4-pyridinyl]amino]-1-methylcyclohexan-1-ol
SMILESCn1nc(-c2cnc(Cl)cc2NC2CCC(C)(O)CC2)cc1C(C)(C)O
InChIInChI=1S/C19H27ClN4O2/c1-18(2,25)16-9-15(23-24(16)4)13-11-21-17(20)10-14(13)22-12-5-7-19(3,26)8-6-12/h9-12,25-26H,5-8H2,1-4H3,(H,21,22)
InChIKeyWFGWKSIJQQAQAF-UHFFFAOYSA-N
MW378.90 g/mol
LogP3.47
Rot. Bonds4

About 4-[[2-chloro-5-[5-(2-hydroxypropan-2-yl)-1-methylpyrazol-3-yl]-4-pyridinyl]amino]-1-methylcyclohexan-1-ol

4-[[2-chloro-5-[5-(2-hydroxypropan-2-yl)-1-methylpyrazol-3-yl]-4-pyridinyl]amino]-1-methylcyclohexan-1-ol (PubChem CID 167426004) has the molecular formula C19H27ClN4O2 and a molecular weight of 378.90 g/mol. Its IUPAC name is 4-[[2-chloro-5-[5-(2-hydroxypropan-2-yl)-1-methylpyrazol-3-yl]-4-pyridinyl]amino]-1-methylcyclohexan-1-ol.

Molecular Properties

Compound Name4-[[2-chloro-5-[5-(2-hydroxypropan-2-yl)-1-methylpyrazol-3-yl]-4-pyridinyl]amino]-1-methylcyclohexan-1-ol
PubChem CID167426004
Molecular FormulaC19H27ClN4O2
Molecular Weight378.90 g/mol
Exact Mass378.18
IUPAC Name4-[[2-chloro-5-[5-(2-hydroxypropan-2-yl)-1-methylpyrazol-3-yl]-4-pyridinyl]amino]-1-methylcyclohexan-1-ol
SMILESCn1nc(-c2cnc(Cl)cc2NC2CCC(C)(O)CC2)cc1C(C)(C)O
InChIInChI=1S/C19H27ClN4O2/c1-18(2,25)16-9-15(23-24(16)4)13-11-21-17(20)10-14(13)22-12-5-7-19(3,26)8-6-12/h9-12,25-26H,5-8H2,1-4H3,(H,21,22)
InChIKeyWFGWKSIJQQAQAF-UHFFFAOYSA-N
XLogP3.47
TPSA83.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-chloro-5-[5-(2-hydroxypropan-2-yl)-1-methylpyrazol-3-yl]-4-pyridinyl]amino]-1-methylcyclohexan-1-ol?
The IUPAC name of 4-[[2-chloro-5-[5-(2-hydroxypropan-2-yl)-1-methylpyrazol-3-yl]-4-pyridinyl]amino]-1-methylcyclohexan-1-ol (CID 167426004) is 4-[[2-chloro-5-[5-(2-hydroxypropan-2-yl)-1-methylpyrazol-3-yl]-4-pyridinyl]amino]-1-methylcyclohexan-1-ol.
What is the SMILES notation for 4-[[2-chloro-5-[5-(2-hydroxypropan-2-yl)-1-methylpyrazol-3-yl]-4-pyridinyl]amino]-1-methylcyclohexan-1-ol?
The canonical SMILES for 4-[[2-chloro-5-[5-(2-hydroxypropan-2-yl)-1-methylpyrazol-3-yl]-4-pyridinyl]amino]-1-methylcyclohexan-1-ol is Cn1nc(-c2cnc(Cl)cc2NC2CCC(C)(O)CC2)cc1C(C)(C)O.
What is the InChIKey of 4-[[2-chloro-5-[5-(2-hydroxypropan-2-yl)-1-methylpyrazol-3-yl]-4-pyridinyl]amino]-1-methylcyclohexan-1-ol?
The InChIKey is WFGWKSIJQQAQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN4O2/c1-18(2,25)16-9-15(23-24(16)4)13-11-21-17(20)10-14(13)22-12-5-7-19(3,26)8-6-12/h9-12,25-26H,5-8H2,1-4H3,(H,21,22).
What are the key properties of 4-[[2-chloro-5-[5-(2-hydroxypropan-2-yl)-1-methylpyrazol-3-yl]-4-pyridinyl]amino]-1-methylcyclohexan-1-ol?
4-[[2-chloro-5-[5-(2-hydroxypropan-2-yl)-1-methylpyrazol-3-yl]-4-pyridinyl]amino]-1-methylcyclohexan-1-ol has a molecular weight of 378.90 g/mol, XLogP of 3.47, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-chloro-5-[5-(2-hydroxypropan-2-yl)-1-methylpyrazol-3-yl]-4-pyridinyl]amino]-1-methylcyclohexan-1-ol is sourced from PubChem (CID 167426004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).