6-[5-(2-chloroanilino)indazol-1-yl]-N-cyclopropylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid

C24H19ClF3N5O3 — CID 117075598

IUPAC6-[5-(2-chloroanilino)indazol-1-yl]-N-cyclopropylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NC1CC1)c1ccc(-n2ncc3cc(Nc4ccccc4Cl)ccc32)nc1.O=C(O)C(F)(F)F
InChIInChI=1S/C22H18ClN5O.C2HF3O2/c23-18-3-1-2-4-19(18)26-17-8-9-20-15(11-17)13-25-28(20)21-10-5-14(12-24-21)22(29)27-16-6-7-16;3-2(4,5)1(6)7/h1-5,8-13,16,26H,6-7H2,(H,27,29);(H,6,7)
InChIKeyRBRYEIZJFBZRPV-UHFFFAOYSA-N
MW517.90 g/mol
LogP5.34
Rot. Bonds5

About 6-[5-(2-chloroanilino)indazol-1-yl]-N-cyclopropylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid

6-[5-(2-chloroanilino)indazol-1-yl]-N-cyclopropylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 117075598) has the molecular formula C24H19ClF3N5O3 and a molecular weight of 517.90 g/mol. Its IUPAC name is 6-[5-(2-chloroanilino)indazol-1-yl]-N-cyclopropylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-[5-(2-chloroanilino)indazol-1-yl]-N-cyclopropylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID117075598
Molecular FormulaC24H19ClF3N5O3
Molecular Weight517.90 g/mol
Exact Mass517.11
IUPAC Name6-[5-(2-chloroanilino)indazol-1-yl]-N-cyclopropylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NC1CC1)c1ccc(-n2ncc3cc(Nc4ccccc4Cl)ccc32)nc1.O=C(O)C(F)(F)F
InChIInChI=1S/C22H18ClN5O.C2HF3O2/c23-18-3-1-2-4-19(18)26-17-8-9-20-15(11-17)13-25-28(20)21-10-5-14(12-24-21)22(29)27-16-6-7-16;3-2(4,5)1(6)7/h1-5,8-13,16,26H,6-7H2,(H,27,29);(H,6,7)
InChIKeyRBRYEIZJFBZRPV-UHFFFAOYSA-N
XLogP5.34
TPSA109.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.90
LogP ≤ 55.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-[5-(2-chloroanilino)indazol-1-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 117075645
6-[5-(2-chloroanilino)indazol-1-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide
CID 117075597
4-[5-(2-chloroanilino)indazol-1-yl]-N-[1-(trideuteriomethyl)pyrrolidin-3-yl]thiophene-2-carboxamide
CID 166011989
[3-[5-(2-chloroanilino)indazol-1-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 117076290
3-[5-(2-chloroanilino)indazol-1-yl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 71602771
N-cyclopropyl-2-(3,4-dichloroanilino)pyrimidine-5-carboxamide
CID 109247436
1-(3-fluorophenyl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]indazole-5-carboxamide
CID 164625585
6-[3-(2-chlorobenzoyl)-1,3-diazinan-1-yl]-N-cyclopropylpyridine-3-carboxamide
CID 69399827
3-[5-(2,6-dichloroanilino)indazol-1-yl]-2-methoxy-N-(3-morpholin-4-ylpropyl)benzamide;2,2,2-trifluoroacetic acid
CID 117075643
6-(2-chloroanilino)-N-cyclopropyl-2-methylpyrimidine-4-carboxamide
CID 109361076
N-cyclopropyl-2-[2-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109247396
6-(6-chloro-3-methylindazol-1-yl)-N-(4-hydroxycyclohexyl)pyridine-3-carboxamide
CID 176791178

Frequently Asked Questions

What is the IUPAC name of 6-[5-(2-chloroanilino)indazol-1-yl]-N-cyclopropylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-[5-(2-chloroanilino)indazol-1-yl]-N-cyclopropylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 117075598) is 6-[5-(2-chloroanilino)indazol-1-yl]-N-cyclopropylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 6-[5-(2-chloroanilino)indazol-1-yl]-N-cyclopropylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-[5-(2-chloroanilino)indazol-1-yl]-N-cyclopropylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid is O=C(NC1CC1)c1ccc(-n2ncc3cc(Nc4ccccc4Cl)ccc32)nc1.O=C(O)C(F)(F)F.
What is the InChIKey of 6-[5-(2-chloroanilino)indazol-1-yl]-N-cyclopropylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is RBRYEIZJFBZRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN5O.C2HF3O2/c23-18-3-1-2-4-19(18)26-17-8-9-20-15(11-17)13-25-28(20)21-10-5-14(12-24-21)22(29)27-16-6-7-16;3-2(4,5)1(6)7/h1-5,8-13,16,26H,6-7H2,(H,27,29);(H,6,7).
What are the key properties of 6-[5-(2-chloroanilino)indazol-1-yl]-N-cyclopropylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
6-[5-(2-chloroanilino)indazol-1-yl]-N-cyclopropylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 517.90 g/mol, XLogP of 5.34, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(2-chloroanilino)indazol-1-yl]-N-cyclopropylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 117075598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).