N-(1-methylindazol-6-yl)-N-[(1R)-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]cyclopropanecarboxamide

C21H21F3N4O2 — CID 140682544

IUPACN-(1-methylindazol-6-yl)-N-[(1R)-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]cyclopropanecarboxamide
SMILESC[C@H](c1ccc(OCC(F)(F)F)nc1)N(C(=O)C1CC1)c1ccc2cnn(C)c2c1
InChIInChI=1S/C21H21F3N4O2/c1-13(15-6-8-19(25-10-15)30-12-21(22,23)24)28(20(29)14-3-4-14)17-7-5-16-11-26-27(2)18(16)9-17/h5-11,13-14H,3-4,12H2,1-2H3/t13-/m1/s1
InChIKeyZMXKIXWJTSYQTK-CYBMUJFWSA-N
MW418.42 g/mol
LogP4.41
Rot. Bonds6

About N-(1-methylindazol-6-yl)-N-[(1R)-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]cyclopropanecarboxamide

N-(1-methylindazol-6-yl)-N-[(1R)-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]cyclopropanecarboxamide (PubChem CID 140682544) has the molecular formula C21H21F3N4O2 and a molecular weight of 418.42 g/mol. Its IUPAC name is N-(1-methylindazol-6-yl)-N-[(1R)-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(1-methylindazol-6-yl)-N-[(1R)-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]cyclopropanecarboxamide
PubChem CID140682544
Molecular FormulaC21H21F3N4O2
Molecular Weight418.42 g/mol
Exact Mass418.16
IUPAC NameN-(1-methylindazol-6-yl)-N-[(1R)-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]cyclopropanecarboxamide
SMILESC[C@H](c1ccc(OCC(F)(F)F)nc1)N(C(=O)C1CC1)c1ccc2cnn(C)c2c1
InChIInChI=1S/C21H21F3N4O2/c1-13(15-6-8-19(25-10-15)30-12-21(22,23)24)28(20(29)14-3-4-14)17-7-5-16-11-26-27(2)18(16)9-17/h5-11,13-14H,3-4,12H2,1-2H3/t13-/m1/s1
InChIKeyZMXKIXWJTSYQTK-CYBMUJFWSA-N
XLogP4.41
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.42
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(1-methylindazol-6-yl)-N-[(1R)-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]cyclopropanecarboxamide with MolForge

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Related Compounds

2-(1-methylindazol-6-yl)-N-[2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]cyclopropane-1-carboxamide
CID 67290272
2-(2-cyclopropyl-2-oxoethyl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 149045512
trans-(1R,2R)-2-(1-methylindol-6-yl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]cyclopropane-1-carboxamide
CID 146275052
2-ethyl-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]quinoline-6-carboxamide
CID 142764995
N,2-dimethyl-6-(3-methyl-2-oxobutyl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 159982999
2-(cyclopropanecarbonylamino)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 67511192
2-(cyclopentanecarbonylamino)-6-methyl-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 67509297
1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanamine
CID 58629100
N-cyclopropyl-N-propan-2-yl-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide
CID 75448162
N-(2-methylquinolin-6-yl)-N-methylsulfonyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 3693588
(3R,4R)-4-hydroxy-3-(pyrrolidin-1-ylmethyl)-4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]butanamide
CID 122446875
2-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyrimidine-4-carboxamide
CID 141332123

Frequently Asked Questions

What is the IUPAC name of N-(1-methylindazol-6-yl)-N-[(1R)-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-(1-methylindazol-6-yl)-N-[(1R)-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]cyclopropanecarboxamide (CID 140682544) is N-(1-methylindazol-6-yl)-N-[(1R)-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-(1-methylindazol-6-yl)-N-[(1R)-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-(1-methylindazol-6-yl)-N-[(1R)-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]cyclopropanecarboxamide is C[C@H](c1ccc(OCC(F)(F)F)nc1)N(C(=O)C1CC1)c1ccc2cnn(C)c2c1.
What is the InChIKey of N-(1-methylindazol-6-yl)-N-[(1R)-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]cyclopropanecarboxamide?
The InChIKey is ZMXKIXWJTSYQTK-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H21F3N4O2/c1-13(15-6-8-19(25-10-15)30-12-21(22,23)24)28(20(29)14-3-4-14)17-7-5-16-11-26-27(2)18(16)9-17/h5-11,13-14H,3-4,12H2,1-2H3/t13-/m1/s1.
What are the key properties of N-(1-methylindazol-6-yl)-N-[(1R)-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]cyclopropanecarboxamide?
N-(1-methylindazol-6-yl)-N-[(1R)-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]cyclopropanecarboxamide has a molecular weight of 418.42 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylindazol-6-yl)-N-[(1R)-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 140682544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).