N-[cyclopropyl(pyridin-2-yl)methyl]-3-[4-(1-formylpiperidin-4-yl)oxyphenyl]-1H-indazole-5-carboxamide

C29H29N5O3 — CID 86711045

IUPACN-[cyclopropyl(pyridin-2-yl)methyl]-3-[4-(1-formylpiperidin-4-yl)oxyphenyl]-1H-indazole-5-carboxamide
SMILESO=CN1CCC(Oc2ccc(-c3n[nH]c4ccc(C(=O)NC(c5ccccn5)C5CC5)cc34)cc2)CC1
InChIInChI=1S/C29H29N5O3/c35-18-34-15-12-23(13-16-34)37-22-9-6-19(7-10-22)27-24-17-21(8-11-25(24)32-33-27)29(36)31-28(20-4-5-20)26-3-1-2-14-30-26/h1-3,6-11,14,17-18,20,23,28H,4-5,12-13,15-16H2,(H,31,36)(H,32,33)
InChIKeyGXKIHPXGVQZMIN-UHFFFAOYSA-N
MW495.58 g/mol
LogP4.51
Rot. Bonds8

About N-[cyclopropyl(pyridin-2-yl)methyl]-3-[4-(1-formylpiperidin-4-yl)oxyphenyl]-1H-indazole-5-carboxamide

N-[cyclopropyl(pyridin-2-yl)methyl]-3-[4-(1-formylpiperidin-4-yl)oxyphenyl]-1H-indazole-5-carboxamide (PubChem CID 86711045) has the molecular formula C29H29N5O3 and a molecular weight of 495.58 g/mol. Its IUPAC name is N-[cyclopropyl(pyridin-2-yl)methyl]-3-[4-(1-formylpiperidin-4-yl)oxyphenyl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[cyclopropyl(pyridin-2-yl)methyl]-3-[4-(1-formylpiperidin-4-yl)oxyphenyl]-1H-indazole-5-carboxamide
PubChem CID86711045
Molecular FormulaC29H29N5O3
Molecular Weight495.58 g/mol
Exact Mass495.23
IUPAC NameN-[cyclopropyl(pyridin-2-yl)methyl]-3-[4-(1-formylpiperidin-4-yl)oxyphenyl]-1H-indazole-5-carboxamide
SMILESO=CN1CCC(Oc2ccc(-c3n[nH]c4ccc(C(=O)NC(c5ccccn5)C5CC5)cc34)cc2)CC1
InChIInChI=1S/C29H29N5O3/c35-18-34-15-12-23(13-16-34)37-22-9-6-19(7-10-22)27-24-17-21(8-11-25(24)32-33-27)29(36)31-28(20-4-5-20)26-3-1-2-14-30-26/h1-3,6-11,14,17-18,20,23,28H,4-5,12-13,15-16H2,(H,31,36)(H,32,33)
InChIKeyGXKIHPXGVQZMIN-UHFFFAOYSA-N
XLogP4.51
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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(pyridin-2-yl)methyl]-3-[4-(1-formylpiperidin-4-yl)oxyphenyl]-1H-indazole-5-carboxamide?
The IUPAC name of N-[cyclopropyl(pyridin-2-yl)methyl]-3-[4-(1-formylpiperidin-4-yl)oxyphenyl]-1H-indazole-5-carboxamide (CID 86711045) is N-[cyclopropyl(pyridin-2-yl)methyl]-3-[4-(1-formylpiperidin-4-yl)oxyphenyl]-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[cyclopropyl(pyridin-2-yl)methyl]-3-[4-(1-formylpiperidin-4-yl)oxyphenyl]-1H-indazole-5-carboxamide?
The canonical SMILES for N-[cyclopropyl(pyridin-2-yl)methyl]-3-[4-(1-formylpiperidin-4-yl)oxyphenyl]-1H-indazole-5-carboxamide is O=CN1CCC(Oc2ccc(-c3n[nH]c4ccc(C(=O)NC(c5ccccn5)C5CC5)cc34)cc2)CC1.
What is the InChIKey of N-[cyclopropyl(pyridin-2-yl)methyl]-3-[4-(1-formylpiperidin-4-yl)oxyphenyl]-1H-indazole-5-carboxamide?
The InChIKey is GXKIHPXGVQZMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O3/c35-18-34-15-12-23(13-16-34)37-22-9-6-19(7-10-22)27-24-17-21(8-11-25(24)32-33-27)29(36)31-28(20-4-5-20)26-3-1-2-14-30-26/h1-3,6-11,14,17-18,20,23,28H,4-5,12-13,15-16H2,(H,31,36)(H,32,33).
What are the key properties of N-[cyclopropyl(pyridin-2-yl)methyl]-3-[4-(1-formylpiperidin-4-yl)oxyphenyl]-1H-indazole-5-carboxamide?
N-[cyclopropyl(pyridin-2-yl)methyl]-3-[4-(1-formylpiperidin-4-yl)oxyphenyl]-1H-indazole-5-carboxamide has a molecular weight of 495.58 g/mol, XLogP of 4.51, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(pyridin-2-yl)methyl]-3-[4-(1-formylpiperidin-4-yl)oxyphenyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 86711045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).