(3S)-3-cyclopropyl-N-[1-(difluoromethyl)indazol-5-yl]morpholine-4-carboxamide

C16H18F2N4O2 — CID 97247314

IUPAC(3S)-3-cyclopropyl-N-[1-(difluoromethyl)indazol-5-yl]morpholine-4-carboxamide
SMILESO=C(Nc1ccc2c(cnn2C(F)F)c1)N1CCOC[C@@H]1C1CC1
InChIInChI=1S/C16H18F2N4O2/c17-15(18)22-13-4-3-12(7-11(13)8-19-22)20-16(23)21-5-6-24-9-14(21)10-1-2-10/h3-4,7-8,10,14-15H,1-2,5-6,9H2,(H,20,23)/t14-/m1/s1
InChIKeyJRRBVTMCHISVEB-CQSZACIVSA-N
MW336.34 g/mol
LogP3.07
Rot. Bonds3

About (3S)-3-cyclopropyl-N-[1-(difluoromethyl)indazol-5-yl]morpholine-4-carboxamide

(3S)-3-cyclopropyl-N-[1-(difluoromethyl)indazol-5-yl]morpholine-4-carboxamide (PubChem CID 97247314) has the molecular formula C16H18F2N4O2 and a molecular weight of 336.34 g/mol. Its IUPAC name is (3S)-3-cyclopropyl-N-[1-(difluoromethyl)indazol-5-yl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(3S)-3-cyclopropyl-N-[1-(difluoromethyl)indazol-5-yl]morpholine-4-carboxamide
PubChem CID97247314
Molecular FormulaC16H18F2N4O2
Molecular Weight336.34 g/mol
Exact Mass336.14
IUPAC Name(3S)-3-cyclopropyl-N-[1-(difluoromethyl)indazol-5-yl]morpholine-4-carboxamide
SMILESO=C(Nc1ccc2c(cnn2C(F)F)c1)N1CCOC[C@@H]1C1CC1
InChIInChI=1S/C16H18F2N4O2/c17-15(18)22-13-4-3-12(7-11(13)8-19-22)20-16(23)21-5-6-24-9-14(21)10-1-2-10/h3-4,7-8,10,14-15H,1-2,5-6,9H2,(H,20,23)/t14-/m1/s1
InChIKeyJRRBVTMCHISVEB-CQSZACIVSA-N
XLogP3.07
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-N-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]morpholine-4-carboxamide
CID 128796894
(3R)-3-cyclopropyl-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide
CID 97085480
3-(2-hydroxypropyl)-N-(1-propylindol-6-yl)morpholine-4-carboxamide
CID 75509204
2-amino-1-(3-cyclopropylmorpholin-4-yl)-2-phenylethanone
CID 91660196
(4aR,8aS)-N-(2,3-dihydro-1H-inden-5-yl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carboxamide
CID 52501860
1-[1-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]indazol-5-yl]-3-cyclopentylurea
CID 141133091
5-[(3-ethylmorpholine-4-carbonyl)amino]-2-fluorobenzoic acid
CID 61202010
(3-cyclobutylmorpholin-4-yl)-[2-(difluoromethyl)-3H-benzimidazol-5-yl]methanone
CID 138002370
4-N-[4-(1-hydroxyethyl)phenyl]morpholine-3,4-dicarboxamide
CID 83098981
3-cyano-N-(3-methylphenyl)morpholine-4-carboxamide
CID 110190200
4-(cyclopropanecarbonyl)-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]piperazine-1-carboxamide
CID 56556621
(2R)-2-cyclopentyl-N-[3-(morpholine-4-carbonyl)phenyl]pyrrolidine-1-carboxamide
CID 94653417

Frequently Asked Questions

What is the IUPAC name of (3S)-3-cyclopropyl-N-[1-(difluoromethyl)indazol-5-yl]morpholine-4-carboxamide?
The IUPAC name of (3S)-3-cyclopropyl-N-[1-(difluoromethyl)indazol-5-yl]morpholine-4-carboxamide (CID 97247314) is (3S)-3-cyclopropyl-N-[1-(difluoromethyl)indazol-5-yl]morpholine-4-carboxamide.
What is the SMILES notation for (3S)-3-cyclopropyl-N-[1-(difluoromethyl)indazol-5-yl]morpholine-4-carboxamide?
The canonical SMILES for (3S)-3-cyclopropyl-N-[1-(difluoromethyl)indazol-5-yl]morpholine-4-carboxamide is O=C(Nc1ccc2c(cnn2C(F)F)c1)N1CCOC[C@@H]1C1CC1.
What is the InChIKey of (3S)-3-cyclopropyl-N-[1-(difluoromethyl)indazol-5-yl]morpholine-4-carboxamide?
The InChIKey is JRRBVTMCHISVEB-CQSZACIVSA-N. The full InChI is InChI=1S/C16H18F2N4O2/c17-15(18)22-13-4-3-12(7-11(13)8-19-22)20-16(23)21-5-6-24-9-14(21)10-1-2-10/h3-4,7-8,10,14-15H,1-2,5-6,9H2,(H,20,23)/t14-/m1/s1.
What are the key properties of (3S)-3-cyclopropyl-N-[1-(difluoromethyl)indazol-5-yl]morpholine-4-carboxamide?
(3S)-3-cyclopropyl-N-[1-(difluoromethyl)indazol-5-yl]morpholine-4-carboxamide has a molecular weight of 336.34 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-cyclopropyl-N-[1-(difluoromethyl)indazol-5-yl]morpholine-4-carboxamide is sourced from PubChem (CID 97247314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).