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

C30H30N4O3 — CID 86711021

IUPACN-[cyclopropyl(phenyl)methyl]-3-[4-(1-formylpiperidin-4-yl)oxyphenyl]-1H-indazole-5-carboxamide
SMILESO=CN1CCC(Oc2ccc(-c3n[nH]c4ccc(C(=O)NC(c5ccccc5)C5CC5)cc34)cc2)CC1
InChIInChI=1S/C30H30N4O3/c35-19-34-16-14-25(15-17-34)37-24-11-8-22(9-12-24)29-26-18-23(10-13-27(26)32-33-29)30(36)31-28(21-6-7-21)20-4-2-1-3-5-20/h1-5,8-13,18-19,21,25,28H,6-7,14-17H2,(H,31,36)(H,32,33)
InChIKeyUPBYKYBKDRDENP-UHFFFAOYSA-N
MW494.60 g/mol
LogP5.11
Rot. Bonds8

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

N-[cyclopropyl(phenyl)methyl]-3-[4-(1-formylpiperidin-4-yl)oxyphenyl]-1H-indazole-5-carboxamide (PubChem CID 86711021) has the molecular formula C30H30N4O3 and a molecular weight of 494.60 g/mol. Its IUPAC name is N-[cyclopropyl(phenyl)methyl]-3-[4-(1-formylpiperidin-4-yl)oxyphenyl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[cyclopropyl(phenyl)methyl]-3-[4-(1-formylpiperidin-4-yl)oxyphenyl]-1H-indazole-5-carboxamide
PubChem CID86711021
Molecular FormulaC30H30N4O3
Molecular Weight494.60 g/mol
Exact Mass494.23
IUPAC NameN-[cyclopropyl(phenyl)methyl]-3-[4-(1-formylpiperidin-4-yl)oxyphenyl]-1H-indazole-5-carboxamide
SMILESO=CN1CCC(Oc2ccc(-c3n[nH]c4ccc(C(=O)NC(c5ccccc5)C5CC5)cc34)cc2)CC1
InChIInChI=1S/C30H30N4O3/c35-19-34-16-14-25(15-17-34)37-24-11-8-22(9-12-24)29-26-18-23(10-13-27(26)32-33-29)30(36)31-28(21-6-7-21)20-4-2-1-3-5-20/h1-5,8-13,18-19,21,25,28H,6-7,14-17H2,(H,31,36)(H,32,33)
InChIKeyUPBYKYBKDRDENP-UHFFFAOYSA-N
XLogP5.11
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.60
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(phenyl)methyl]-3-[4-(1-formylpiperidin-4-yl)oxyphenyl]-1H-indazole-5-carboxamide?
The IUPAC name of N-[cyclopropyl(phenyl)methyl]-3-[4-(1-formylpiperidin-4-yl)oxyphenyl]-1H-indazole-5-carboxamide (CID 86711021) is N-[cyclopropyl(phenyl)methyl]-3-[4-(1-formylpiperidin-4-yl)oxyphenyl]-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[cyclopropyl(phenyl)methyl]-3-[4-(1-formylpiperidin-4-yl)oxyphenyl]-1H-indazole-5-carboxamide?
The canonical SMILES for N-[cyclopropyl(phenyl)methyl]-3-[4-(1-formylpiperidin-4-yl)oxyphenyl]-1H-indazole-5-carboxamide is O=CN1CCC(Oc2ccc(-c3n[nH]c4ccc(C(=O)NC(c5ccccc5)C5CC5)cc34)cc2)CC1.
What is the InChIKey of N-[cyclopropyl(phenyl)methyl]-3-[4-(1-formylpiperidin-4-yl)oxyphenyl]-1H-indazole-5-carboxamide?
The InChIKey is UPBYKYBKDRDENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O3/c35-19-34-16-14-25(15-17-34)37-24-11-8-22(9-12-24)29-26-18-23(10-13-27(26)32-33-29)30(36)31-28(21-6-7-21)20-4-2-1-3-5-20/h1-5,8-13,18-19,21,25,28H,6-7,14-17H2,(H,31,36)(H,32,33).
What are the key properties of N-[cyclopropyl(phenyl)methyl]-3-[4-(1-formylpiperidin-4-yl)oxyphenyl]-1H-indazole-5-carboxamide?
N-[cyclopropyl(phenyl)methyl]-3-[4-(1-formylpiperidin-4-yl)oxyphenyl]-1H-indazole-5-carboxamide has a molecular weight of 494.60 g/mol, XLogP of 5.11, 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-formylpiperidin-4-yl)oxyphenyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 86711021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).