N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]-N-methyl-1H-pyrrole-2-carboxamide

C31H30N6O3 — CID 123742997

IUPACN-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]-N-methyl-1H-pyrrole-2-carboxamide
SMILESCN(C(=O)c1ccc[nH]1)c1ccc(-n2ncc3cc(NC(=O)c4ccc(N5CCC(O)CC5)cc4)ccc32)cc1
InChIInChI=1S/C31H30N6O3/c1-35(31(40)28-3-2-16-32-28)24-9-11-26(12-10-24)37-29-13-6-23(19-22(29)20-33-37)34-30(39)21-4-7-25(8-5-21)36-17-14-27(38)15-18-36/h2-13,16,19-20,27,32,38H,14-15,17-18H2,1H3,(H,34,39)
InChIKeyBDEYXOUCRRNXPM-UHFFFAOYSA-N
MW534.62 g/mol
LogP4.84
Rot. Bonds6

About N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]-N-methyl-1H-pyrrole-2-carboxamide

N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]-N-methyl-1H-pyrrole-2-carboxamide (PubChem CID 123742997) has the molecular formula C31H30N6O3 and a molecular weight of 534.62 g/mol. Its IUPAC name is N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]-N-methyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]-N-methyl-1H-pyrrole-2-carboxamide
PubChem CID123742997
Molecular FormulaC31H30N6O3
Molecular Weight534.62 g/mol
Exact Mass534.24
IUPAC NameN-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]-N-methyl-1H-pyrrole-2-carboxamide
SMILESCN(C(=O)c1ccc[nH]1)c1ccc(-n2ncc3cc(NC(=O)c4ccc(N5CCC(O)CC5)cc4)ccc32)cc1
InChIInChI=1S/C31H30N6O3/c1-35(31(40)28-3-2-16-32-28)24-9-11-26(12-10-24)37-29-13-6-23(19-22(29)20-33-37)34-30(39)21-4-7-25(8-5-21)36-17-14-27(38)15-18-36/h2-13,16,19-20,27,32,38H,14-15,17-18H2,1H3,(H,34,39)
InChIKeyBDEYXOUCRRNXPM-UHFFFAOYSA-N
XLogP4.84
TPSA106.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.62
LogP ≤ 54.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]-N-methyl-1H-pyrrole-2-carboxamide with MolForge

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Related Compounds

N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]-N-methyl-1H-indole-5-carboxamide
CID 123783407
N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]pyridine-4-carboxamide
CID 67114039
N-[1-[4-(cyclopropylmethylcarbamoyl)phenyl]indazol-5-yl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 67113684
N-[4-(5-hydroxyindazol-1-yl)phenyl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 67113330
N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]pyridazine-4-carboxamide
CID 67113553
4-(4-hydroxypiperidin-1-yl)-N-[1-(4-indol-1-ylphenyl)indazol-5-yl]benzamide
CID 141334501
4-(4-hydroxypiperidin-1-yl)-N-[1-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]indazol-5-yl]benzamide
CID 67112996
N-[1-[4-(3-cyclopropylpropanoyl)phenyl]indazol-5-yl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 147606537
N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indol-1-yl]phenyl]-N-methyl-1H-indole-5-carboxamide
CID 123599357
N-ethyl-N-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]phenyl]-1H-pyrrole-2-carboxamide
CID 123203777
tert-butyl 2-[5-[[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]benzoyl]amino]indol-1-yl]acetate
CID 67687189
N-benzyl-4-[5-[4-(4-hydroxypiperidin-1-yl)anilino]indazol-1-yl]benzamide
CID 67113104

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]-N-methyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]-N-methyl-1H-pyrrole-2-carboxamide (CID 123742997) is N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]-N-methyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]-N-methyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]-N-methyl-1H-pyrrole-2-carboxamide is CN(C(=O)c1ccc[nH]1)c1ccc(-n2ncc3cc(NC(=O)c4ccc(N5CCC(O)CC5)cc4)ccc32)cc1.
What is the InChIKey of N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]-N-methyl-1H-pyrrole-2-carboxamide?
The InChIKey is BDEYXOUCRRNXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N6O3/c1-35(31(40)28-3-2-16-32-28)24-9-11-26(12-10-24)37-29-13-6-23(19-22(29)20-33-37)34-30(39)21-4-7-25(8-5-21)36-17-14-27(38)15-18-36/h2-13,16,19-20,27,32,38H,14-15,17-18H2,1H3,(H,34,39).
What are the key properties of N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]-N-methyl-1H-pyrrole-2-carboxamide?
N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]-N-methyl-1H-pyrrole-2-carboxamide has a molecular weight of 534.62 g/mol, XLogP of 4.84, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]-N-methyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 123742997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).