1-[4-[3-[5-[(R)-hydroxy-(3-methyl-1-propylazetidin-3-yl)-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone

C32H43N5O2 — CID 166525248

IUPAC1-[4-[3-[5-[(R)-hydroxy-(3-methyl-1-propylazetidin-3-yl)-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
SMILESCCCN1CC(C)([C@](O)(c2ccc(C(C)C)cc2)c2cncc(-c3cc(C4CCN(C(C)=O)CC4)[nH]n3)c2)C1
InChIInChI=1S/C32H43N5O2/c1-6-13-36-20-31(5,21-36)32(39,27-9-7-24(8-10-27)22(2)3)28-16-26(18-33-19-28)30-17-29(34-35-30)25-11-14-37(15-12-25)23(4)38/h7-10,16-19,22,25,39H,6,11-15,20-21H2,1-5H3,(H,34,35)/t32-/m0/s1
InChIKeyGVBOHNMLHNWUGF-YTTGMZPUSA-N
MW529.73 g/mol
LogP5.29
Rot. Bonds8

About 1-[4-[3-[5-[(R)-hydroxy-(3-methyl-1-propylazetidin-3-yl)-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone

1-[4-[3-[5-[(R)-hydroxy-(3-methyl-1-propylazetidin-3-yl)-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone (PubChem CID 166525248) has the molecular formula C32H43N5O2 and a molecular weight of 529.73 g/mol. Its IUPAC name is 1-[4-[3-[5-[(R)-hydroxy-(3-methyl-1-propylazetidin-3-yl)-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-[5-[(R)-hydroxy-(3-methyl-1-propylazetidin-3-yl)-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
PubChem CID166525248
Molecular FormulaC32H43N5O2
Molecular Weight529.73 g/mol
Exact Mass529.34
IUPAC Name1-[4-[3-[5-[(R)-hydroxy-(3-methyl-1-propylazetidin-3-yl)-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
SMILESCCCN1CC(C)([C@](O)(c2ccc(C(C)C)cc2)c2cncc(-c3cc(C4CCN(C(C)=O)CC4)[nH]n3)c2)C1
InChIInChI=1S/C32H43N5O2/c1-6-13-36-20-31(5,21-36)32(39,27-9-7-24(8-10-27)22(2)3)28-16-26(18-33-19-28)30-17-29(34-35-30)25-11-14-37(15-12-25)23(4)38/h7-10,16-19,22,25,39H,6,11-15,20-21H2,1-5H3,(H,34,35)/t32-/m0/s1
InChIKeyGVBOHNMLHNWUGF-YTTGMZPUSA-N
XLogP5.29
TPSA85.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.73
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[4-[3-[5-[(R)-hydroxy-(3-methyl-1-propylazetidin-3-yl)-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[5-[(R)-hydroxy-(3-methyl-1-propylazetidin-3-yl)-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-[5-[(R)-hydroxy-(3-methyl-1-propylazetidin-3-yl)-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone (CID 166525248) is 1-[4-[3-[5-[(R)-hydroxy-(3-methyl-1-propylazetidin-3-yl)-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-[5-[(R)-hydroxy-(3-methyl-1-propylazetidin-3-yl)-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-[5-[(R)-hydroxy-(3-methyl-1-propylazetidin-3-yl)-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone is CCCN1CC(C)([C@](O)(c2ccc(C(C)C)cc2)c2cncc(-c3cc(C4CCN(C(C)=O)CC4)[nH]n3)c2)C1.
What is the InChIKey of 1-[4-[3-[5-[(R)-hydroxy-(3-methyl-1-propylazetidin-3-yl)-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone?
The InChIKey is GVBOHNMLHNWUGF-YTTGMZPUSA-N. The full InChI is InChI=1S/C32H43N5O2/c1-6-13-36-20-31(5,21-36)32(39,27-9-7-24(8-10-27)22(2)3)28-16-26(18-33-19-28)30-17-29(34-35-30)25-11-14-37(15-12-25)23(4)38/h7-10,16-19,22,25,39H,6,11-15,20-21H2,1-5H3,(H,34,35)/t32-/m0/s1.
What are the key properties of 1-[4-[3-[5-[(R)-hydroxy-(3-methyl-1-propylazetidin-3-yl)-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone?
1-[4-[3-[5-[(R)-hydroxy-(3-methyl-1-propylazetidin-3-yl)-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone has a molecular weight of 529.73 g/mol, XLogP of 5.29, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[5-[(R)-hydroxy-(3-methyl-1-propylazetidin-3-yl)-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 166525248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).