7-fluoro-N-[2-(methylamino)ethyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-indazole-5-carboxamide

C20H26FN7O2 — CID 171830440

IUPAC7-fluoro-N-[2-(methylamino)ethyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-indazole-5-carboxamide
SMILESCNCCNC(=O)c1cc(F)c2[nH]nc(-c3cnn(CCN4CCOCC4)c3)c2c1
InChIInChI=1S/C20H26FN7O2/c1-22-2-3-23-20(29)14-10-16-18(25-26-19(16)17(21)11-14)15-12-24-28(13-15)5-4-27-6-8-30-9-7-27/h10-13,22H,2-9H2,1H3,(H,23,29)(H,25,26)
InChIKeyVHGGTYWLSUJBJH-UHFFFAOYSA-N
MW415.47 g/mol
LogP0.85
Rot. Bonds8

About 7-fluoro-N-[2-(methylamino)ethyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-indazole-5-carboxamide

7-fluoro-N-[2-(methylamino)ethyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-indazole-5-carboxamide (PubChem CID 171830440) has the molecular formula C20H26FN7O2 and a molecular weight of 415.47 g/mol. Its IUPAC name is 7-fluoro-N-[2-(methylamino)ethyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[2-(methylamino)ethyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-indazole-5-carboxamide
PubChem CID171830440
Molecular FormulaC20H26FN7O2
Molecular Weight415.47 g/mol
Exact Mass415.21
IUPAC Name7-fluoro-N-[2-(methylamino)ethyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-indazole-5-carboxamide
SMILESCNCCNC(=O)c1cc(F)c2[nH]nc(-c3cnn(CCN4CCOCC4)c3)c2c1
InChIInChI=1S/C20H26FN7O2/c1-22-2-3-23-20(29)14-10-16-18(25-26-19(16)17(21)11-14)15-12-24-28(13-15)5-4-27-6-8-30-9-7-27/h10-13,22H,2-9H2,1H3,(H,23,29)(H,25,26)
InChIKeyVHGGTYWLSUJBJH-UHFFFAOYSA-N
XLogP0.85
TPSA100.10 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1,4-Dihydro-1'-(1H-indazol-5-ylcarbonyl)-1-(1-methylethyl)spiro(5H-indazole-5,4'-piperidin)-7(6H)-one
CID 52934178
3-(5-(morpholinomethyl)-1H-indol-2-yl)-6-(1H-pyrazol-4-yl)quinolin-2(1H)-one
CID 44419980
2,2-Dimethylpropyl (1s)-1-Methyl-8-[(7-Methyl-1h-Indazol-5-Yl)carbonyl]-2,8-Diazaspiro[4.5]decane-2-Carboxylate
CID 91936973
3-(5-((4-(2-methoxyacetyl)piperazin-1-yl)methyl)-1H-indol-2-yl)-6-(1H-pyrazol-4-yl)quinolin-2(1H)-one
CID 44419987
2-(4-(2-morpholinoethylcarbamoyl)phenyl)-2H-indazole-7-carboxamide
CID 46226282
1-tert-butyl-1'-(3,7-dimethyl-2H-indazole-5-carbonyl)spiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one
CID 56967694
2-tert-butyl-1'-(1H-indazole-5-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
CID 56967888
1'-(3,7-dimethyl-2H-indazole-5-carbonyl)-2-propan-2-ylspiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
CID 56967890
2-tert-butyl-1'-(3,7-dimethyl-2H-indazole-5-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
CID 56968004
[4-[4-(1H-indazol-3-yl)triazol-1-yl]phenyl]-morpholin-4-ylmethanone
CID 57389895
1'-(3,7-dimethyl-2H-indazole-5-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one
CID 67491412
N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-5-(pyridin-3-yl)-1H-indazole-3-carboxamide
CID 71714628

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[2-(methylamino)ethyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-indazole-5-carboxamide?
The IUPAC name of 7-fluoro-N-[2-(methylamino)ethyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-indazole-5-carboxamide (CID 171830440) is 7-fluoro-N-[2-(methylamino)ethyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-indazole-5-carboxamide.
What is the SMILES notation for 7-fluoro-N-[2-(methylamino)ethyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-indazole-5-carboxamide?
The canonical SMILES for 7-fluoro-N-[2-(methylamino)ethyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-indazole-5-carboxamide is CNCCNC(=O)c1cc(F)c2[nH]nc(-c3cnn(CCN4CCOCC4)c3)c2c1.
What is the InChIKey of 7-fluoro-N-[2-(methylamino)ethyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-indazole-5-carboxamide?
The InChIKey is VHGGTYWLSUJBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN7O2/c1-22-2-3-23-20(29)14-10-16-18(25-26-19(16)17(21)11-14)15-12-24-28(13-15)5-4-27-6-8-30-9-7-27/h10-13,22H,2-9H2,1H3,(H,23,29)(H,25,26).
What are the key properties of 7-fluoro-N-[2-(methylamino)ethyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-indazole-5-carboxamide?
7-fluoro-N-[2-(methylamino)ethyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-indazole-5-carboxamide has a molecular weight of 415.47 g/mol, XLogP of 0.85, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[2-(methylamino)ethyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 171830440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).