N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-morpholin-4-yl-1H-indazole-3-carboxamide

C19H25N5O2 — CID 58578011

IUPACN-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-morpholin-4-yl-1H-indazole-3-carboxamide
SMILESO=C(N[C@@H]1CN2CCC1CC2)c1n[nH]c2cc(N3CCOCC3)ccc12
InChIInChI=1S/C19H25N5O2/c25-19(20-17-12-23-5-3-13(17)4-6-23)18-15-2-1-14(11-16(15)21-22-18)24-7-9-26-10-8-24/h1-2,11,13,17H,3-10,12H2,(H,20,25)(H,21,22)/t17-/m1/s1
InChIKeyJXGZKXKFTKPPSA-QGZVFWFLSA-N
MW355.44 g/mol
LogP1.22
Rot. Bonds3

About N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-morpholin-4-yl-1H-indazole-3-carboxamide

N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-morpholin-4-yl-1H-indazole-3-carboxamide (PubChem CID 58578011) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-morpholin-4-yl-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-morpholin-4-yl-1H-indazole-3-carboxamide
PubChem CID58578011
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC NameN-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-morpholin-4-yl-1H-indazole-3-carboxamide
SMILESO=C(N[C@@H]1CN2CCC1CC2)c1n[nH]c2cc(N3CCOCC3)ccc12
InChIInChI=1S/C19H25N5O2/c25-19(20-17-12-23-5-3-13(17)4-6-23)18-15-2-1-14(11-16(15)21-22-18)24-7-9-26-10-8-24/h1-2,11,13,17H,3-10,12H2,(H,20,25)(H,21,22)/t17-/m1/s1
InChIKeyJXGZKXKFTKPPSA-QGZVFWFLSA-N
XLogP1.22
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-morpholin-4-yl-1H-indazole-3-carboxamide?
The IUPAC name of N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-morpholin-4-yl-1H-indazole-3-carboxamide (CID 58578011) is N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-morpholin-4-yl-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-morpholin-4-yl-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-morpholin-4-yl-1H-indazole-3-carboxamide is O=C(N[C@@H]1CN2CCC1CC2)c1n[nH]c2cc(N3CCOCC3)ccc12.
What is the InChIKey of N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-morpholin-4-yl-1H-indazole-3-carboxamide?
The InChIKey is JXGZKXKFTKPPSA-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H25N5O2/c25-19(20-17-12-23-5-3-13(17)4-6-23)18-15-2-1-14(11-16(15)21-22-18)24-7-9-26-10-8-24/h1-2,11,13,17H,3-10,12H2,(H,20,25)(H,21,22)/t17-/m1/s1.
What are the key properties of N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-morpholin-4-yl-1H-indazole-3-carboxamide?
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-morpholin-4-yl-1H-indazole-3-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-morpholin-4-yl-1H-indazole-3-carboxamide is sourced from PubChem (CID 58578011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).