N-(1H-indazol-5-yl)-2-morpholin-4-ylpyridine-4-carboxamide;2,2,2-trifluoroacetic acid

C19H18F3N5O4 — CID 117072761

IUPACN-(1H-indazol-5-yl)-2-morpholin-4-ylpyridine-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(Nc1ccc2[nH]ncc2c1)c1ccnc(N2CCOCC2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H17N5O2.C2HF3O2/c23-17(20-14-1-2-15-13(9-14)11-19-21-15)12-3-4-18-16(10-12)22-5-7-24-8-6-22;3-2(4,5)1(6)7/h1-4,9-11H,5-8H2,(H,19,21)(H,20,23);(H,6,7)
InChIKeyRSLBFBKECYVKOQ-UHFFFAOYSA-N
MW437.38 g/mol
LogP2.68
Rot. Bonds3

About N-(1H-indazol-5-yl)-2-morpholin-4-ylpyridine-4-carboxamide;2,2,2-trifluoroacetic acid

N-(1H-indazol-5-yl)-2-morpholin-4-ylpyridine-4-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 117072761) has the molecular formula C19H18F3N5O4 and a molecular weight of 437.38 g/mol. Its IUPAC name is N-(1H-indazol-5-yl)-2-morpholin-4-ylpyridine-4-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(1H-indazol-5-yl)-2-morpholin-4-ylpyridine-4-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID117072761
Molecular FormulaC19H18F3N5O4
Molecular Weight437.38 g/mol
Exact Mass437.13
IUPAC NameN-(1H-indazol-5-yl)-2-morpholin-4-ylpyridine-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(Nc1ccc2[nH]ncc2c1)c1ccnc(N2CCOCC2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H17N5O2.C2HF3O2/c23-17(20-14-1-2-15-13(9-14)11-19-21-15)12-3-4-18-16(10-12)22-5-7-24-8-6-22;3-2(4,5)1(6)7/h1-4,9-11H,5-8H2,(H,19,21)(H,20,23);(H,6,7)
InChIKeyRSLBFBKECYVKOQ-UHFFFAOYSA-N
XLogP2.68
TPSA120.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.38
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 84574865
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2-morpholin-4-yl-N-(1,3-oxazol-2-yl)pyridine-4-carboxamide
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N-(1H-indazol-5-yl)-1-(pyridine-4-carbonyl)pyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 117072879
N-naphthalen-2-yl-1H-indazole-5-carboxamide
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N-(1H-indazol-5-yl)-2,3-dihydro-1H-indole-5-carboxamide
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2-piperidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
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2-(1,1-difluoroethyl)-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide
CID 86297886
2-(1H-indol-5-yl)-N-(4-morpholin-4-ylphenyl)pyridine-4-carboxamide
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N-[4-chloro-3-(trifluoromethyl)phenyl]-2-piperidin-1-ylpyridine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-5-yl)-2-morpholin-4-ylpyridine-4-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(1H-indazol-5-yl)-2-morpholin-4-ylpyridine-4-carboxamide;2,2,2-trifluoroacetic acid (CID 117072761) is N-(1H-indazol-5-yl)-2-morpholin-4-ylpyridine-4-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(1H-indazol-5-yl)-2-morpholin-4-ylpyridine-4-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(1H-indazol-5-yl)-2-morpholin-4-ylpyridine-4-carboxamide;2,2,2-trifluoroacetic acid is O=C(Nc1ccc2[nH]ncc2c1)c1ccnc(N2CCOCC2)c1.O=C(O)C(F)(F)F.
What is the InChIKey of N-(1H-indazol-5-yl)-2-morpholin-4-ylpyridine-4-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is RSLBFBKECYVKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2.C2HF3O2/c23-17(20-14-1-2-15-13(9-14)11-19-21-15)12-3-4-18-16(10-12)22-5-7-24-8-6-22;3-2(4,5)1(6)7/h1-4,9-11H,5-8H2,(H,19,21)(H,20,23);(H,6,7).
What are the key properties of N-(1H-indazol-5-yl)-2-morpholin-4-ylpyridine-4-carboxamide;2,2,2-trifluoroacetic acid?
N-(1H-indazol-5-yl)-2-morpholin-4-ylpyridine-4-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 437.38 g/mol, XLogP of 2.68, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-5-yl)-2-morpholin-4-ylpyridine-4-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 117072761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).