N-[1-(4-aminophenyl)ethyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide

C22H19N7O — CID 154616337

IUPACN-[1-(4-aminophenyl)ethyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide
SMILESCC(NC(=O)c1nc2cc3[nH][nH]c(-c4ccncc4)c3cc2n1)c1ccc(N)cc1
InChIInChI=1S/C22H19N7O/c1-12(13-2-4-15(23)5-3-13)25-22(30)21-26-18-10-16-17(11-19(18)27-21)28-29-20(16)14-6-8-24-9-7-14/h2-12,28-29H,23H2,1H3,(H,25,30)
InChIKeyUMPWHMMLTRUEDY-UHFFFAOYSA-N
MW397.44 g/mol
LogP3.57
Rot. Bonds4

About N-[1-(4-aminophenyl)ethyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide

N-[1-(4-aminophenyl)ethyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide (PubChem CID 154616337) has the molecular formula C22H19N7O and a molecular weight of 397.44 g/mol. Its IUPAC name is N-[1-(4-aminophenyl)ethyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide.

Molecular Properties

Compound NameN-[1-(4-aminophenyl)ethyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide
PubChem CID154616337
Molecular FormulaC22H19N7O
Molecular Weight397.44 g/mol
Exact Mass397.17
IUPAC NameN-[1-(4-aminophenyl)ethyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide
SMILESCC(NC(=O)c1nc2cc3[nH][nH]c(-c4ccncc4)c3cc2n1)c1ccc(N)cc1
InChIInChI=1S/C22H19N7O/c1-12(13-2-4-15(23)5-3-13)25-22(30)21-26-18-10-16-17(11-19(18)27-21)28-29-20(16)14-6-8-24-9-7-14/h2-12,28-29H,23H2,1H3,(H,25,30)
InChIKeyUMPWHMMLTRUEDY-UHFFFAOYSA-N
XLogP3.57
TPSA125.37 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 53.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3-bromophenyl)ethyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide
CID 154616338
3-pyridin-4-yl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide
CID 138573612
N-(3,3-dimethylbutan-2-yl)-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide
CID 154616331
N-(1-methoxypropan-2-yl)-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide
CID 138573398
N-[(1R)-1-cyclohexylethyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide
CID 138559882
N-[(S)-cyano(phenyl)methyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide
CID 138573198
N-[1-(4-aminophenyl)ethyl]pyridine-4-carboxamide
CID 43297585
3-[4-(oxomethylidene)cyclohexen-1-yl]-N-[(1R)-1-phenylethyl]-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide
CID 176538799
N-[1-(4-aminophenyl)ethyl]-5-methyl-1H-1,2,4-triazole-3-carboxamide
CID 116650052
N-[1-(3-propan-2-ylphenyl)ethyl]-3-pyridin-4-yl-1-trityl-2H-imidazo[4,5-f]indazole-6-carboxamide
CID 154616368
[[(1R)-1-(3-chlorophenyl)ethyl]amino]-(3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazol-6-yl)methanol
CID 155073594
3-morpholin-4-yl-N-[(1R)-1-phenylethyl]-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide
CID 138562746

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-aminophenyl)ethyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide?
The IUPAC name of N-[1-(4-aminophenyl)ethyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide (CID 154616337) is N-[1-(4-aminophenyl)ethyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide.
What is the SMILES notation for N-[1-(4-aminophenyl)ethyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide?
The canonical SMILES for N-[1-(4-aminophenyl)ethyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide is CC(NC(=O)c1nc2cc3[nH][nH]c(-c4ccncc4)c3cc2n1)c1ccc(N)cc1.
What is the InChIKey of N-[1-(4-aminophenyl)ethyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide?
The InChIKey is UMPWHMMLTRUEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7O/c1-12(13-2-4-15(23)5-3-13)25-22(30)21-26-18-10-16-17(11-19(18)27-21)28-29-20(16)14-6-8-24-9-7-14/h2-12,28-29H,23H2,1H3,(H,25,30).
What are the key properties of N-[1-(4-aminophenyl)ethyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide?
N-[1-(4-aminophenyl)ethyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide has a molecular weight of 397.44 g/mol, XLogP of 3.57, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-aminophenyl)ethyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide is sourced from PubChem (CID 154616337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).