(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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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).