N-[cyclopropyl(phenyl)methyl]-3-[4-(1-propanoylpiperidin-4-yl)oxyphenyl]-1H-indazole-5-carboxamide

C32H34N4O3 — CID 126626401

IUPACN-[cyclopropyl(phenyl)methyl]-3-[4-(1-propanoylpiperidin-4-yl)oxyphenyl]-1H-indazole-5-carboxamide
SMILESCCC(=O)N1CCC(Oc2ccc(-c3n[nH]c4ccc(C(=O)NC(c5ccccc5)C5CC5)cc34)cc2)CC1
InChIInChI=1S/C32H34N4O3/c1-2-29(37)36-18-16-26(17-19-36)39-25-13-10-23(11-14-25)31-27-20-24(12-15-28(27)34-35-31)32(38)33-30(22-8-9-22)21-6-4-3-5-7-21/h3-7,10-15,20,22,26,30H,2,8-9,16-19H2,1H3,(H,33,38)(H,34,35)
InChIKeyFPSGXZDQJJHJBR-UHFFFAOYSA-N
MW522.65 g/mol
LogP5.89
Rot. Bonds8

About N-[cyclopropyl(phenyl)methyl]-3-[4-(1-propanoylpiperidin-4-yl)oxyphenyl]-1H-indazole-5-carboxamide

N-[cyclopropyl(phenyl)methyl]-3-[4-(1-propanoylpiperidin-4-yl)oxyphenyl]-1H-indazole-5-carboxamide (PubChem CID 126626401) has the molecular formula C32H34N4O3 and a molecular weight of 522.65 g/mol. Its IUPAC name is N-[cyclopropyl(phenyl)methyl]-3-[4-(1-propanoylpiperidin-4-yl)oxyphenyl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[cyclopropyl(phenyl)methyl]-3-[4-(1-propanoylpiperidin-4-yl)oxyphenyl]-1H-indazole-5-carboxamide
PubChem CID126626401
Molecular FormulaC32H34N4O3
Molecular Weight522.65 g/mol
Exact Mass522.26
IUPAC NameN-[cyclopropyl(phenyl)methyl]-3-[4-(1-propanoylpiperidin-4-yl)oxyphenyl]-1H-indazole-5-carboxamide
SMILESCCC(=O)N1CCC(Oc2ccc(-c3n[nH]c4ccc(C(=O)NC(c5ccccc5)C5CC5)cc34)cc2)CC1
InChIInChI=1S/C32H34N4O3/c1-2-29(37)36-18-16-26(17-19-36)39-25-13-10-23(11-14-25)31-27-20-24(12-15-28(27)34-35-31)32(38)33-30(22-8-9-22)21-6-4-3-5-7-21/h3-7,10-15,20,22,26,30H,2,8-9,16-19H2,1H3,(H,33,38)(H,34,35)
InChIKeyFPSGXZDQJJHJBR-UHFFFAOYSA-N
XLogP5.89
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.65
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(phenyl)methyl]-3-[4-(1-propanoylpiperidin-4-yl)oxyphenyl]-1H-indazole-5-carboxamide?
The IUPAC name of N-[cyclopropyl(phenyl)methyl]-3-[4-(1-propanoylpiperidin-4-yl)oxyphenyl]-1H-indazole-5-carboxamide (CID 126626401) is N-[cyclopropyl(phenyl)methyl]-3-[4-(1-propanoylpiperidin-4-yl)oxyphenyl]-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[cyclopropyl(phenyl)methyl]-3-[4-(1-propanoylpiperidin-4-yl)oxyphenyl]-1H-indazole-5-carboxamide?
The canonical SMILES for N-[cyclopropyl(phenyl)methyl]-3-[4-(1-propanoylpiperidin-4-yl)oxyphenyl]-1H-indazole-5-carboxamide is CCC(=O)N1CCC(Oc2ccc(-c3n[nH]c4ccc(C(=O)NC(c5ccccc5)C5CC5)cc34)cc2)CC1.
What is the InChIKey of N-[cyclopropyl(phenyl)methyl]-3-[4-(1-propanoylpiperidin-4-yl)oxyphenyl]-1H-indazole-5-carboxamide?
The InChIKey is FPSGXZDQJJHJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N4O3/c1-2-29(37)36-18-16-26(17-19-36)39-25-13-10-23(11-14-25)31-27-20-24(12-15-28(27)34-35-31)32(38)33-30(22-8-9-22)21-6-4-3-5-7-21/h3-7,10-15,20,22,26,30H,2,8-9,16-19H2,1H3,(H,33,38)(H,34,35).
What are the key properties of N-[cyclopropyl(phenyl)methyl]-3-[4-(1-propanoylpiperidin-4-yl)oxyphenyl]-1H-indazole-5-carboxamide?
N-[cyclopropyl(phenyl)methyl]-3-[4-(1-propanoylpiperidin-4-yl)oxyphenyl]-1H-indazole-5-carboxamide has a molecular weight of 522.65 g/mol, XLogP of 5.89, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(phenyl)methyl]-3-[4-(1-propanoylpiperidin-4-yl)oxyphenyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 126626401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).