2-cyclopentyl-N-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazol-5-yl]-2-pyridin-2-ylacetamide

C31H35N5O2 — CID 86711057

IUPAC2-cyclopentyl-N-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazol-5-yl]-2-pyridin-2-ylacetamide
SMILESCN1CCC(Oc2ccc(-c3n[nH]c4ccc(NC(=O)C(c5ccccn5)C5CCCC5)cc34)cc2)CC1
InChIInChI=1S/C31H35N5O2/c1-36-18-15-25(16-19-36)38-24-12-9-22(10-13-24)30-26-20-23(11-14-27(26)34-35-30)33-31(37)29(21-6-2-3-7-21)28-8-4-5-17-32-28/h4-5,8-14,17,20-21,25,29H,2-3,6-7,15-16,18-19H2,1H3,(H,33,37)(H,34,35)
InChIKeyCQOOBCLBMYGVDE-UHFFFAOYSA-N
MW509.65 g/mol
LogP6.01
Rot. Bonds7

About 2-cyclopentyl-N-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazol-5-yl]-2-pyridin-2-ylacetamide

2-cyclopentyl-N-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazol-5-yl]-2-pyridin-2-ylacetamide (PubChem CID 86711057) has the molecular formula C31H35N5O2 and a molecular weight of 509.65 g/mol. Its IUPAC name is 2-cyclopentyl-N-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazol-5-yl]-2-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazol-5-yl]-2-pyridin-2-ylacetamide
PubChem CID86711057
Molecular FormulaC31H35N5O2
Molecular Weight509.65 g/mol
Exact Mass509.28
IUPAC Name2-cyclopentyl-N-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazol-5-yl]-2-pyridin-2-ylacetamide
SMILESCN1CCC(Oc2ccc(-c3n[nH]c4ccc(NC(=O)C(c5ccccn5)C5CCCC5)cc34)cc2)CC1
InChIInChI=1S/C31H35N5O2/c1-36-18-15-25(16-19-36)38-24-12-9-22(10-13-24)30-26-20-23(11-14-27(26)34-35-30)33-31(37)29(21-6-2-3-7-21)28-8-4-5-17-32-28/h4-5,8-14,17,20-21,25,29H,2-3,6-7,15-16,18-19H2,1H3,(H,33,37)(H,34,35)
InChIKeyCQOOBCLBMYGVDE-UHFFFAOYSA-N
XLogP6.01
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.65
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazol-5-yl]-2-pyridin-2-ylacetamide?
The IUPAC name of 2-cyclopentyl-N-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazol-5-yl]-2-pyridin-2-ylacetamide (CID 86711057) is 2-cyclopentyl-N-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazol-5-yl]-2-pyridin-2-ylacetamide.
What is the SMILES notation for 2-cyclopentyl-N-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazol-5-yl]-2-pyridin-2-ylacetamide?
The canonical SMILES for 2-cyclopentyl-N-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazol-5-yl]-2-pyridin-2-ylacetamide is CN1CCC(Oc2ccc(-c3n[nH]c4ccc(NC(=O)C(c5ccccn5)C5CCCC5)cc34)cc2)CC1.
What is the InChIKey of 2-cyclopentyl-N-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazol-5-yl]-2-pyridin-2-ylacetamide?
The InChIKey is CQOOBCLBMYGVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N5O2/c1-36-18-15-25(16-19-36)38-24-12-9-22(10-13-24)30-26-20-23(11-14-27(26)34-35-30)33-31(37)29(21-6-2-3-7-21)28-8-4-5-17-32-28/h4-5,8-14,17,20-21,25,29H,2-3,6-7,15-16,18-19H2,1H3,(H,33,37)(H,34,35).
What are the key properties of 2-cyclopentyl-N-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazol-5-yl]-2-pyridin-2-ylacetamide?
2-cyclopentyl-N-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazol-5-yl]-2-pyridin-2-ylacetamide has a molecular weight of 509.65 g/mol, XLogP of 6.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazol-5-yl]-2-pyridin-2-ylacetamide is sourced from PubChem (CID 86711057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).