2-[4-[5-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-6-pyridin-2-yl-2-pyridinyl]propan-2-ol

C29H34N6O — CID 118536290

IUPAC2-[4-[5-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-6-pyridin-2-yl-2-pyridinyl]propan-2-ol
SMILESCC(C)N1CCC(n2cc(-c3cncc(-c4cc(-c5ccccn5)nc(C(C)(C)O)c4)c3)cn2)CC1
InChIInChI=1S/C29H34N6O/c1-20(2)34-11-8-25(9-12-34)35-19-24(18-32-35)23-13-22(16-30-17-23)21-14-27(26-7-5-6-10-31-26)33-28(15-21)29(3,4)36/h5-7,10,13-20,25,36H,8-9,11-12H2,1-4H3
InChIKeyYZWBPGOUEAZAFD-UHFFFAOYSA-N
MW482.63 g/mol
LogP5.34
Rot. Bonds6

About 2-[4-[5-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-6-pyridin-2-yl-2-pyridinyl]propan-2-ol

2-[4-[5-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-6-pyridin-2-yl-2-pyridinyl]propan-2-ol (PubChem CID 118536290) has the molecular formula C29H34N6O and a molecular weight of 482.63 g/mol. Its IUPAC name is 2-[4-[5-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-6-pyridin-2-yl-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[5-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-6-pyridin-2-yl-2-pyridinyl]propan-2-ol
PubChem CID118536290
Molecular FormulaC29H34N6O
Molecular Weight482.63 g/mol
Exact Mass482.28
IUPAC Name2-[4-[5-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-6-pyridin-2-yl-2-pyridinyl]propan-2-ol
SMILESCC(C)N1CCC(n2cc(-c3cncc(-c4cc(-c5ccccn5)nc(C(C)(C)O)c4)c3)cn2)CC1
InChIInChI=1S/C29H34N6O/c1-20(2)34-11-8-25(9-12-34)35-19-24(18-32-35)23-13-22(16-30-17-23)21-14-27(26-7-5-6-10-31-26)33-28(15-21)29(3,4)36/h5-7,10,13-20,25,36H,8-9,11-12H2,1-4H3
InChIKeyYZWBPGOUEAZAFD-UHFFFAOYSA-N
XLogP5.34
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.63
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-6-pyridin-2-yl-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[4-[5-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-6-pyridin-2-yl-2-pyridinyl]propan-2-ol (CID 118536290) is 2-[4-[5-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-6-pyridin-2-yl-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[4-[5-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-6-pyridin-2-yl-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[4-[5-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-6-pyridin-2-yl-2-pyridinyl]propan-2-ol is CC(C)N1CCC(n2cc(-c3cncc(-c4cc(-c5ccccn5)nc(C(C)(C)O)c4)c3)cn2)CC1.
What is the InChIKey of 2-[4-[5-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-6-pyridin-2-yl-2-pyridinyl]propan-2-ol?
The InChIKey is YZWBPGOUEAZAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N6O/c1-20(2)34-11-8-25(9-12-34)35-19-24(18-32-35)23-13-22(16-30-17-23)21-14-27(26-7-5-6-10-31-26)33-28(15-21)29(3,4)36/h5-7,10,13-20,25,36H,8-9,11-12H2,1-4H3.
What are the key properties of 2-[4-[5-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-6-pyridin-2-yl-2-pyridinyl]propan-2-ol?
2-[4-[5-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-6-pyridin-2-yl-2-pyridinyl]propan-2-ol has a molecular weight of 482.63 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-6-pyridin-2-yl-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 118536290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).