(1R)-2-fluoro-N-[1-[7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazol-3-yl]ethenyl]cyclohexan-1-amine

C19H21F2N5 — CID 139448778

IUPAC(1R)-2-fluoro-N-[1-[7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazol-3-yl]ethenyl]cyclohexan-1-amine
SMILESC=C(N[C@@H]1CCCCC1F)c1[nH]nc2c(F)cc(-c3cnn(C)c3)cc12
InChIInChI=1S/C19H21F2N5/c1-11(23-17-6-4-3-5-15(17)20)18-14-7-12(13-9-22-26(2)10-13)8-16(21)19(14)25-24-18/h7-10,15,17,23H,1,3-6H2,2H3,(H,24,25)/t15?,17-/m1/s1
InChIKeyAPRYXZQQBUGXLL-OMOCHNIRSA-N
MW357.41 g/mol
LogP3.94
Rot. Bonds4

About (1R)-2-fluoro-N-[1-[7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazol-3-yl]ethenyl]cyclohexan-1-amine

(1R)-2-fluoro-N-[1-[7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazol-3-yl]ethenyl]cyclohexan-1-amine (PubChem CID 139448778) has the molecular formula C19H21F2N5 and a molecular weight of 357.41 g/mol. Its IUPAC name is (1R)-2-fluoro-N-[1-[7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazol-3-yl]ethenyl]cyclohexan-1-amine.

Molecular Properties

Compound Name(1R)-2-fluoro-N-[1-[7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazol-3-yl]ethenyl]cyclohexan-1-amine
PubChem CID139448778
Molecular FormulaC19H21F2N5
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name(1R)-2-fluoro-N-[1-[7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazol-3-yl]ethenyl]cyclohexan-1-amine
SMILESC=C(N[C@@H]1CCCCC1F)c1[nH]nc2c(F)cc(-c3cnn(C)c3)cc12
InChIInChI=1S/C19H21F2N5/c1-11(23-17-6-4-3-5-15(17)20)18-14-7-12(13-9-22-26(2)10-13)8-16(21)19(14)25-24-18/h7-10,15,17,23H,1,3-6H2,2H3,(H,24,25)/t15?,17-/m1/s1
InChIKeyAPRYXZQQBUGXLL-OMOCHNIRSA-N
XLogP3.94
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,1,1-trifluoro-N-[1-[7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazol-3-yl]ethenyl]propan-2-amine
CID 139449358
N-[1-[7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazol-3-yl]ethenyl]-4-[(1-methylpiperidin-4-yl)methyl]aniline
CID 139448978
7-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-2H-indazole-3-carboxamide
CID 139431431
N-[(1R,2R)-2-fluorocyclohexyl]-7-(1-methylpyrazol-4-yl)-3,4-dihydroisoquinoline-1-carboxamide
CID 152995194
N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-7-methyl-5-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide
CID 139448910
7-chloro-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide
CID 139431378
2-[8-[(1R,2S)-2-fluorocyclohexyl]-6,7-dihydro-5H-pyrido[2,3-c]pyridazin-3-yl]-5-(1-methylpyrazol-4-yl)phenol
CID 170041493
N-cyclopentyl-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
CID 160652856
6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-5-oxo-1,6-naphthyridine-8-carboxamide
CID 162772163
N-[(4,4-difluorocyclohexyl)methyl]-1-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]ethenamine
CID 139448823
5-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-4-oxofuro[3,2-c]pyridine-7-carboxamide
CID 162772141
3-fluoro-5-(1-methylpyrazol-4-yl)phenol
CID 83130417

Frequently Asked Questions

What is the IUPAC name of (1R)-2-fluoro-N-[1-[7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazol-3-yl]ethenyl]cyclohexan-1-amine?
The IUPAC name of (1R)-2-fluoro-N-[1-[7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazol-3-yl]ethenyl]cyclohexan-1-amine (CID 139448778) is (1R)-2-fluoro-N-[1-[7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazol-3-yl]ethenyl]cyclohexan-1-amine.
What is the SMILES notation for (1R)-2-fluoro-N-[1-[7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazol-3-yl]ethenyl]cyclohexan-1-amine?
The canonical SMILES for (1R)-2-fluoro-N-[1-[7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazol-3-yl]ethenyl]cyclohexan-1-amine is C=C(N[C@@H]1CCCCC1F)c1[nH]nc2c(F)cc(-c3cnn(C)c3)cc12.
What is the InChIKey of (1R)-2-fluoro-N-[1-[7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazol-3-yl]ethenyl]cyclohexan-1-amine?
The InChIKey is APRYXZQQBUGXLL-OMOCHNIRSA-N. The full InChI is InChI=1S/C19H21F2N5/c1-11(23-17-6-4-3-5-15(17)20)18-14-7-12(13-9-22-26(2)10-13)8-16(21)19(14)25-24-18/h7-10,15,17,23H,1,3-6H2,2H3,(H,24,25)/t15?,17-/m1/s1.
What are the key properties of (1R)-2-fluoro-N-[1-[7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazol-3-yl]ethenyl]cyclohexan-1-amine?
(1R)-2-fluoro-N-[1-[7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazol-3-yl]ethenyl]cyclohexan-1-amine has a molecular weight of 357.41 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-fluoro-N-[1-[7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazol-3-yl]ethenyl]cyclohexan-1-amine is sourced from PubChem (CID 139448778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).