N-(4-morpholin-4-ylphenyl)-4-(prop-2-enoylamino)-1H-indazole-3-carboxamide

C21H21N5O3 — CID 175258896

IUPACN-(4-morpholin-4-ylphenyl)-4-(prop-2-enoylamino)-1H-indazole-3-carboxamide
SMILESC=CC(=O)Nc1cccc2[nH]nc(C(=O)Nc3ccc(N4CCOCC4)cc3)c12
InChIInChI=1S/C21H21N5O3/c1-2-18(27)23-16-4-3-5-17-19(16)20(25-24-17)21(28)22-14-6-8-15(9-7-14)26-10-12-29-13-11-26/h2-9H,1,10-13H2,(H,22,28)(H,23,27)(H,24,25)
InChIKeyZMRBEZNUCWIHIE-UHFFFAOYSA-N
MW391.43 g/mol
LogP2.78
Rot. Bonds5

About N-(4-morpholin-4-ylphenyl)-4-(prop-2-enoylamino)-1H-indazole-3-carboxamide

N-(4-morpholin-4-ylphenyl)-4-(prop-2-enoylamino)-1H-indazole-3-carboxamide (PubChem CID 175258896) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-4-(prop-2-enoylamino)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-4-(prop-2-enoylamino)-1H-indazole-3-carboxamide
PubChem CID175258896
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC NameN-(4-morpholin-4-ylphenyl)-4-(prop-2-enoylamino)-1H-indazole-3-carboxamide
SMILESC=CC(=O)Nc1cccc2[nH]nc(C(=O)Nc3ccc(N4CCOCC4)cc3)c12
InChIInChI=1S/C21H21N5O3/c1-2-18(27)23-16-4-3-5-17-19(16)20(25-24-17)21(28)22-14-6-8-15(9-7-14)26-10-12-29-13-11-26/h2-9H,1,10-13H2,(H,22,28)(H,23,27)(H,24,25)
InChIKeyZMRBEZNUCWIHIE-UHFFFAOYSA-N
XLogP2.78
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-(4-morpholin-4-ylphenyl)-4-(prop-2-enoylamino)-1H-indazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(4-methylpiperazin-1-yl)phenyl]-4-(prop-2-enoylamino)-1H-indazole-3-carboxamide
CID 175258855
4-(3-chloropropanoylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indazole-3-carboxamide
CID 175374580
5-iodo-N-(4-morpholin-4-ylphenyl)-1H-indazole-3-carboxamide
CID 11744370
N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1H-indazole-3-carboxamide
CID 25488160
N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-1H-indazole-3-carboxamide
CID 41452060
N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-1H-indazole-3-carboxamide
CID 51129949
2-bromo-N-(4-morpholin-4-ylphenyl)benzamide
CID 1181771
N-[3-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]prop-2-enamide
CID 162658060
2-(methanesulfonamido)-N-(4-morpholin-4-ylphenyl)benzamide
CID 100519885
N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide
CID 43699902
2-amino-N-(4-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 82545859
3-methyl-N-(4-morpholin-4-ylphenyl)but-2-enamide
CID 731852

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-4-(prop-2-enoylamino)-1H-indazole-3-carboxamide?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-4-(prop-2-enoylamino)-1H-indazole-3-carboxamide (CID 175258896) is N-(4-morpholin-4-ylphenyl)-4-(prop-2-enoylamino)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-4-(prop-2-enoylamino)-1H-indazole-3-carboxamide?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-4-(prop-2-enoylamino)-1H-indazole-3-carboxamide is C=CC(=O)Nc1cccc2[nH]nc(C(=O)Nc3ccc(N4CCOCC4)cc3)c12.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-4-(prop-2-enoylamino)-1H-indazole-3-carboxamide?
The InChIKey is ZMRBEZNUCWIHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c1-2-18(27)23-16-4-3-5-17-19(16)20(25-24-17)21(28)22-14-6-8-15(9-7-14)26-10-12-29-13-11-26/h2-9H,1,10-13H2,(H,22,28)(H,23,27)(H,24,25).
What are the key properties of N-(4-morpholin-4-ylphenyl)-4-(prop-2-enoylamino)-1H-indazole-3-carboxamide?
N-(4-morpholin-4-ylphenyl)-4-(prop-2-enoylamino)-1H-indazole-3-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 2.78, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-4-(prop-2-enoylamino)-1H-indazole-3-carboxamide is sourced from PubChem (CID 175258896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).