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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Related Compounds

(2'S,3R)-5-methoxy-2'-[3-[(E)-2-[6-(piperidin-1-ylmethyl)-3-pyridinyl]ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 67446346
6-(2-ethyl-7-methoxypyrazolo[1,5-a]pyridin-4-yl)-5-methyl-2-[3-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]propyl]-4,5-dihydropyridazin-3-one
CID 71517907
N-(cyclopropyl(pyridin-2-yl)methyl)-3-(4-((1-formylpiperidin-4-yl)oxy)phenyl)-1H-indazole-5-carboxamide
CID 86711045
N-(cyclopentyl(pyridin-2-yl)methyl)-3-(4-((1-methylpiperidin-4-yl)oxy)phenyl)-1H-indazole-5-carboxamide
CID 89971850
3-[4-[[(1S,5R)-8-formyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]-N-(3-methyl-1-pyridin-2-ylbutyl)-1H-indazole-5-carboxamide
CID 118735386
N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide
CID 9910658
N-[2-[[[3-(6-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide
CID 155530525
N-(3,4-dihydro-2H-chromen-4-yl)-3-pyridin-4-yl-1H-indazol-5-amine
CID 168291167
3-(1-methyl-2,3-dihydroindol-4-yl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine
CID 66828944
N-[3-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]phenyl]acetamide
CID 66829113
N-[4-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]phenyl]acetamide
CID 66829115
N-[2-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]phenyl]acetamide
CID 66829117

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).