N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-N-(cyclopropylmethyl)-5-(fluoromethoxy)-1H-indazole-3-carboxamide

C20H25FN4O2 — CID 67230933

IUPACN-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-N-(cyclopropylmethyl)-5-(fluoromethoxy)-1H-indazole-3-carboxamide
SMILESO=C(c1n[nH]c2ccc(OCF)cc12)N(CC1CC1)[C@@H]1CN2CCC1CC2
InChIInChI=1S/C20H25FN4O2/c21-12-27-15-3-4-17-16(9-15)19(23-22-17)20(26)25(10-13-1-2-13)18-11-24-7-5-14(18)6-8-24/h3-4,9,13-14,18H,1-2,5-8,10-12H2,(H,22,23)/t18-/m1/s1
InChIKeyAJMXOVDZVIRVHJ-GOSISDBHSA-N
MW372.44 g/mol
LogP2.82
Rot. Bonds6

About N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-N-(cyclopropylmethyl)-5-(fluoromethoxy)-1H-indazole-3-carboxamide

N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-N-(cyclopropylmethyl)-5-(fluoromethoxy)-1H-indazole-3-carboxamide (PubChem CID 67230933) has the molecular formula C20H25FN4O2 and a molecular weight of 372.44 g/mol. Its IUPAC name is N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-N-(cyclopropylmethyl)-5-(fluoromethoxy)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-N-(cyclopropylmethyl)-5-(fluoromethoxy)-1H-indazole-3-carboxamide
PubChem CID67230933
Molecular FormulaC20H25FN4O2
Molecular Weight372.44 g/mol
Exact Mass372.20
IUPAC NameN-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-N-(cyclopropylmethyl)-5-(fluoromethoxy)-1H-indazole-3-carboxamide
SMILESO=C(c1n[nH]c2ccc(OCF)cc12)N(CC1CC1)[C@@H]1CN2CCC1CC2
InChIInChI=1S/C20H25FN4O2/c21-12-27-15-3-4-17-16(9-15)19(23-22-17)20(26)25(10-13-1-2-13)18-11-24-7-5-14(18)6-8-24/h3-4,9,13-14,18H,1-2,5-8,10-12H2,(H,22,23)/t18-/m1/s1
InChIKeyAJMXOVDZVIRVHJ-GOSISDBHSA-N
XLogP2.82
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-N-(cyclopropylmethyl)-5-(fluoromethoxy)-1H-indazole-3-carboxamide?
The IUPAC name of N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-N-(cyclopropylmethyl)-5-(fluoromethoxy)-1H-indazole-3-carboxamide (CID 67230933) is N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-N-(cyclopropylmethyl)-5-(fluoromethoxy)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-N-(cyclopropylmethyl)-5-(fluoromethoxy)-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-N-(cyclopropylmethyl)-5-(fluoromethoxy)-1H-indazole-3-carboxamide is O=C(c1n[nH]c2ccc(OCF)cc12)N(CC1CC1)[C@@H]1CN2CCC1CC2.
What is the InChIKey of N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-N-(cyclopropylmethyl)-5-(fluoromethoxy)-1H-indazole-3-carboxamide?
The InChIKey is AJMXOVDZVIRVHJ-GOSISDBHSA-N. The full InChI is InChI=1S/C20H25FN4O2/c21-12-27-15-3-4-17-16(9-15)19(23-22-17)20(26)25(10-13-1-2-13)18-11-24-7-5-14(18)6-8-24/h3-4,9,13-14,18H,1-2,5-8,10-12H2,(H,22,23)/t18-/m1/s1.
What are the key properties of N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-N-(cyclopropylmethyl)-5-(fluoromethoxy)-1H-indazole-3-carboxamide?
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-N-(cyclopropylmethyl)-5-(fluoromethoxy)-1H-indazole-3-carboxamide has a molecular weight of 372.44 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-N-(cyclopropylmethyl)-5-(fluoromethoxy)-1H-indazole-3-carboxamide is sourced from PubChem (CID 67230933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).