1-[5-(carbamoylamino)-2-fluorophenyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indazole-3-carboxamide

C23H25FN6O2 — CID 68617910

IUPAC1-[5-(carbamoylamino)-2-fluorophenyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indazole-3-carboxamide
SMILESCN1C2CCC1CC(NC(=O)c1nn(-c3cc(NC(N)=O)ccc3F)c3ccccc13)C2
InChIInChI=1S/C23H25FN6O2/c1-29-15-7-8-16(29)11-14(10-15)26-22(31)21-17-4-2-3-5-19(17)30(28-21)20-12-13(27-23(25)32)6-9-18(20)24/h2-6,9,12,14-16H,7-8,10-11H2,1H3,(H,26,31)(H3,25,27,32)
InChIKeyZXIWQXRMAZYHTL-UHFFFAOYSA-N
MW436.49 g/mol
LogP3.01
Rot. Bonds4

About 1-[5-(carbamoylamino)-2-fluorophenyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indazole-3-carboxamide

1-[5-(carbamoylamino)-2-fluorophenyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indazole-3-carboxamide (PubChem CID 68617910) has the molecular formula C23H25FN6O2 and a molecular weight of 436.49 g/mol. Its IUPAC name is 1-[5-(carbamoylamino)-2-fluorophenyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indazole-3-carboxamide.

Molecular Properties

Compound Name1-[5-(carbamoylamino)-2-fluorophenyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indazole-3-carboxamide
PubChem CID68617910
Molecular FormulaC23H25FN6O2
Molecular Weight436.49 g/mol
Exact Mass436.20
IUPAC Name1-[5-(carbamoylamino)-2-fluorophenyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indazole-3-carboxamide
SMILESCN1C2CCC1CC(NC(=O)c1nn(-c3cc(NC(N)=O)ccc3F)c3ccccc13)C2
InChIInChI=1S/C23H25FN6O2/c1-29-15-7-8-16(29)11-14(10-15)26-22(31)21-17-4-2-3-5-19(17)30(28-21)20-12-13(27-23(25)32)6-9-18(20)24/h2-6,9,12,14-16H,7-8,10-11H2,1H3,(H,26,31)(H3,25,27,32)
InChIKeyZXIWQXRMAZYHTL-UHFFFAOYSA-N
XLogP3.01
TPSA105.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(carbamoylamino)-2-fluorophenyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indazole-3-carboxamide?
The IUPAC name of 1-[5-(carbamoylamino)-2-fluorophenyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indazole-3-carboxamide (CID 68617910) is 1-[5-(carbamoylamino)-2-fluorophenyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indazole-3-carboxamide.
What is the SMILES notation for 1-[5-(carbamoylamino)-2-fluorophenyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indazole-3-carboxamide?
The canonical SMILES for 1-[5-(carbamoylamino)-2-fluorophenyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indazole-3-carboxamide is CN1C2CCC1CC(NC(=O)c1nn(-c3cc(NC(N)=O)ccc3F)c3ccccc13)C2.
What is the InChIKey of 1-[5-(carbamoylamino)-2-fluorophenyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indazole-3-carboxamide?
The InChIKey is ZXIWQXRMAZYHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6O2/c1-29-15-7-8-16(29)11-14(10-15)26-22(31)21-17-4-2-3-5-19(17)30(28-21)20-12-13(27-23(25)32)6-9-18(20)24/h2-6,9,12,14-16H,7-8,10-11H2,1H3,(H,26,31)(H3,25,27,32).
What are the key properties of 1-[5-(carbamoylamino)-2-fluorophenyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indazole-3-carboxamide?
1-[5-(carbamoylamino)-2-fluorophenyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indazole-3-carboxamide has a molecular weight of 436.49 g/mol, XLogP of 3.01, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(carbamoylamino)-2-fluorophenyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indazole-3-carboxamide is sourced from PubChem (CID 68617910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).