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

C30H31N5O4 — CID 86711079

IUPACN-[cyclopropyl(pyridin-2-yl)methyl]-3-[4-(1-formylpiperidin-4-yl)oxy-3-methoxyphenyl]-1H-indazole-5-carboxamide
SMILESCOc1cc(-c2n[nH]c3ccc(C(=O)NC(c4ccccn4)C4CC4)cc23)ccc1OC1CCN(C=O)CC1
InChIInChI=1S/C30H31N5O4/c1-38-27-17-20(8-10-26(27)39-22-11-14-35(18-36)15-12-22)28-23-16-21(7-9-24(23)33-34-28)30(37)32-29(19-5-6-19)25-4-2-3-13-31-25/h2-4,7-10,13,16-19,22,29H,5-6,11-12,14-15H2,1H3,(H,32,37)(H,33,34)
InChIKeyZVRCWMYMMNQPQD-UHFFFAOYSA-N
MW525.61 g/mol
LogP4.51
Rot. Bonds9

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

N-[cyclopropyl(pyridin-2-yl)methyl]-3-[4-(1-formylpiperidin-4-yl)oxy-3-methoxyphenyl]-1H-indazole-5-carboxamide (PubChem CID 86711079) has the molecular formula C30H31N5O4 and a molecular weight of 525.61 g/mol. Its IUPAC name is N-[cyclopropyl(pyridin-2-yl)methyl]-3-[4-(1-formylpiperidin-4-yl)oxy-3-methoxyphenyl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[cyclopropyl(pyridin-2-yl)methyl]-3-[4-(1-formylpiperidin-4-yl)oxy-3-methoxyphenyl]-1H-indazole-5-carboxamide
PubChem CID86711079
Molecular FormulaC30H31N5O4
Molecular Weight525.61 g/mol
Exact Mass525.24
IUPAC NameN-[cyclopropyl(pyridin-2-yl)methyl]-3-[4-(1-formylpiperidin-4-yl)oxy-3-methoxyphenyl]-1H-indazole-5-carboxamide
SMILESCOc1cc(-c2n[nH]c3ccc(C(=O)NC(c4ccccn4)C4CC4)cc23)ccc1OC1CCN(C=O)CC1
InChIInChI=1S/C30H31N5O4/c1-38-27-17-20(8-10-26(27)39-22-11-14-35(18-36)15-12-22)28-23-16-21(7-9-24(23)33-34-28)30(37)32-29(19-5-6-19)25-4-2-3-13-31-25/h2-4,7-10,13,16-19,22,29H,5-6,11-12,14-15H2,1H3,(H,32,37)(H,33,34)
InChIKeyZVRCWMYMMNQPQD-UHFFFAOYSA-N
XLogP4.51
TPSA109.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.61
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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)oxy-3-methoxyphenyl]-1H-indazole-5-carboxamide?
The IUPAC name of N-[cyclopropyl(pyridin-2-yl)methyl]-3-[4-(1-formylpiperidin-4-yl)oxy-3-methoxyphenyl]-1H-indazole-5-carboxamide (CID 86711079) is N-[cyclopropyl(pyridin-2-yl)methyl]-3-[4-(1-formylpiperidin-4-yl)oxy-3-methoxyphenyl]-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[cyclopropyl(pyridin-2-yl)methyl]-3-[4-(1-formylpiperidin-4-yl)oxy-3-methoxyphenyl]-1H-indazole-5-carboxamide?
The canonical SMILES for N-[cyclopropyl(pyridin-2-yl)methyl]-3-[4-(1-formylpiperidin-4-yl)oxy-3-methoxyphenyl]-1H-indazole-5-carboxamide is COc1cc(-c2n[nH]c3ccc(C(=O)NC(c4ccccn4)C4CC4)cc23)ccc1OC1CCN(C=O)CC1.
What is the InChIKey of N-[cyclopropyl(pyridin-2-yl)methyl]-3-[4-(1-formylpiperidin-4-yl)oxy-3-methoxyphenyl]-1H-indazole-5-carboxamide?
The InChIKey is ZVRCWMYMMNQPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N5O4/c1-38-27-17-20(8-10-26(27)39-22-11-14-35(18-36)15-12-22)28-23-16-21(7-9-24(23)33-34-28)30(37)32-29(19-5-6-19)25-4-2-3-13-31-25/h2-4,7-10,13,16-19,22,29H,5-6,11-12,14-15H2,1H3,(H,32,37)(H,33,34).
What are the key properties of N-[cyclopropyl(pyridin-2-yl)methyl]-3-[4-(1-formylpiperidin-4-yl)oxy-3-methoxyphenyl]-1H-indazole-5-carboxamide?
N-[cyclopropyl(pyridin-2-yl)methyl]-3-[4-(1-formylpiperidin-4-yl)oxy-3-methoxyphenyl]-1H-indazole-5-carboxamide has a molecular weight of 525.61 g/mol, XLogP of 4.51, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(pyridin-2-yl)methyl]-3-[4-(1-formylpiperidin-4-yl)oxy-3-methoxyphenyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 86711079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).