N-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-1H-indazol-5-amine

C22H21F2N5 — CID 156734143

IUPACN-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-1H-indazol-5-amine
SMILESCCn1cc(/C=C/c2n[nH]c3ccc(N[C@H](C)c4cc(F)cc(F)c4)cc23)cn1
InChIInChI=1S/C22H21F2N5/c1-3-29-13-15(12-25-29)4-6-21-20-11-19(5-7-22(20)28-27-21)26-14(2)16-8-17(23)10-18(24)9-16/h4-14,26H,3H2,1-2H3,(H,27,28)/b6-4+/t14-/m1/s1
InChIKeyCQSCKLYHFADLAX-YVARQFDVSA-N
MW393.44 g/mol
LogP5.40
Rot. Bonds6

About N-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-1H-indazol-5-amine

N-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-1H-indazol-5-amine (PubChem CID 156734143) has the molecular formula C22H21F2N5 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-1H-indazol-5-amine
PubChem CID156734143
Molecular FormulaC22H21F2N5
Molecular Weight393.44 g/mol
Exact Mass393.18
IUPAC NameN-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-1H-indazol-5-amine
SMILESCCn1cc(/C=C/c2n[nH]c3ccc(N[C@H](C)c4cc(F)cc(F)c4)cc23)cn1
InChIInChI=1S/C22H21F2N5/c1-3-29-13-15(12-25-29)4-6-21-20-11-19(5-7-22(20)28-27-21)26-14(2)16-8-17(23)10-18(24)9-16/h4-14,26H,3H2,1-2H3,(H,27,28)/b6-4+/t14-/m1/s1
InChIKeyCQSCKLYHFADLAX-YVARQFDVSA-N
XLogP5.40
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.44
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-phenethylpiperazin-1-yl)-1H-indazole
CID 49798218
CID 150939945
CID 150939945
5-fluoro-3-[3-[4-[4-fluoro-2-(1H-pyrazol-4-yl)phenyl]piperazin-1-yl]propyl]-1H-indole
CID 155552188
6-[1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl]-1H-indazole
CID 25093328
N-[(5-fluoro-2-methylsulfonylphenyl)methyl]-3-(1-methylpyrazol-4-yl)-1H-indazol-5-amine
CID 155557330
2-[[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]amino]benzonitrile
CID 168279642
N-(1-benzylpiperidin-4-yl)-1H-indazol-5-amine
CID 9836178
N-(1-benzylpiperidin-3-yl)-1H-indazol-5-amine
CID 9857714
N-(1-(4-fluorobenzyl)piperidin-3-yl)-1H-indazol-5-amine
CID 9858433
N-(1H-5-Indazolyl)-N-(4-piperidyl)amine
CID 9899273
N-(1-benzylpyrrolidin-3-yl)-1H-indazol-5-amine
CID 9900683
1-(2,6-difluorobenzyl)-3-(1H-indazol-5-yl)urea
CID 9900997

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-1H-indazol-5-amine?
The IUPAC name of N-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-1H-indazol-5-amine (CID 156734143) is N-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-1H-indazol-5-amine.
What is the SMILES notation for N-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-1H-indazol-5-amine?
The canonical SMILES for N-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-1H-indazol-5-amine is CCn1cc(/C=C/c2n[nH]c3ccc(N[C@H](C)c4cc(F)cc(F)c4)cc23)cn1.
What is the InChIKey of N-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-1H-indazol-5-amine?
The InChIKey is CQSCKLYHFADLAX-YVARQFDVSA-N. The full InChI is InChI=1S/C22H21F2N5/c1-3-29-13-15(12-25-29)4-6-21-20-11-19(5-7-22(20)28-27-21)26-14(2)16-8-17(23)10-18(24)9-16/h4-14,26H,3H2,1-2H3,(H,27,28)/b6-4+/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-1H-indazol-5-amine?
N-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-1H-indazol-5-amine has a molecular weight of 393.44 g/mol, XLogP of 5.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-1H-indazol-5-amine is sourced from PubChem (CID 156734143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).