3-(2-propan-2-yl-4-pyridinyl)-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine

C26H23N5 — CID 24874780

IUPAC3-(2-propan-2-yl-4-pyridinyl)-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine
SMILESCC(C)c1cc(C2(c3cccc(-c4cncnc4)c3)N=C(N)c3ccccc32)ccn1
InChIInChI=1S/C26H23N5/c1-17(2)24-13-21(10-11-30-24)26(23-9-4-3-8-22(23)25(27)31-26)20-7-5-6-18(12-20)19-14-28-16-29-15-19/h3-17H,1-2H3,(H2,27,31)
InChIKeyBSJUWHOXOHIPGJ-UHFFFAOYSA-N
MW405.51 g/mol
LogP4.67
Rot. Bonds4

About 3-(2-propan-2-yl-4-pyridinyl)-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine

3-(2-propan-2-yl-4-pyridinyl)-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine (PubChem CID 24874780) has the molecular formula C26H23N5 and a molecular weight of 405.51 g/mol. Its IUPAC name is 3-(2-propan-2-yl-4-pyridinyl)-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine.

Molecular Properties

Compound Name3-(2-propan-2-yl-4-pyridinyl)-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine
PubChem CID24874780
Molecular FormulaC26H23N5
Molecular Weight405.51 g/mol
Exact Mass405.20
IUPAC Name3-(2-propan-2-yl-4-pyridinyl)-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine
SMILESCC(C)c1cc(C2(c3cccc(-c4cncnc4)c3)N=C(N)c3ccccc32)ccn1
InChIInChI=1S/C26H23N5/c1-17(2)24-13-21(10-11-30-24)26(23-9-4-3-8-22(23)25(27)31-26)20-7-5-6-18(12-20)19-14-28-16-29-15-19/h3-17H,1-2H3,(H2,27,31)
InChIKeyBSJUWHOXOHIPGJ-UHFFFAOYSA-N
XLogP4.67
TPSA77.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.51
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-bromophenyl)-3-(2-propan-2-yl-4-pyridinyl)isoindol-1-amine
CID 59596314
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine
CID 59596313
5-pyridin-4-yl-5-(3-pyrimidin-5-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine
CID 25119893
(E)-but-2-enedioic acid;(3S)-3-[2-(difluoromethyl)-4-pyridinyl]-7-fluoro-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine
CID 118753440
3-(4-methoxy-3-methylphenyl)-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine;2,2,2-trifluoroacetic acid
CID 24875042
3-(1,3-benzodioxol-5-yl)-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine;2,2,2-trifluoroacetic acid
CID 24875095
[4-[3-amino-1-(3-pyridin-3-ylphenyl)isoindol-1-yl]phenyl] 2,2,2-trifluoroacetate
CID 91206356
4-[3-amino-1-[3-(3-methoxyphenyl)phenyl]isoindol-1-yl]phenol
CID 143599411
5-[3-(2-fluoro-3-methoxyphenyl)phenyl]-5-pyridin-4-ylpyrrolo[3,4-b]pyridin-7-amine
CID 25119895
3-[3-(2-fluoro-3-pyridinyl)phenyl]-3-(4-methylsulfonylphenyl)isoindol-1-amine
CID 25154233
2-(4-methoxyphenyl)-5-propan-2-yl-2-(3-pyrimidin-5-ylphenyl)imidazol-4-amine
CID 71459167
2-amino-4-phenyl-4-(3-pyrimidin-5-ylphenyl)-1H-imidazol-5-one
CID 143064638

Frequently Asked Questions

What is the IUPAC name of 3-(2-propan-2-yl-4-pyridinyl)-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine?
The IUPAC name of 3-(2-propan-2-yl-4-pyridinyl)-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine (CID 24874780) is 3-(2-propan-2-yl-4-pyridinyl)-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine.
What is the SMILES notation for 3-(2-propan-2-yl-4-pyridinyl)-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine?
The canonical SMILES for 3-(2-propan-2-yl-4-pyridinyl)-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine is CC(C)c1cc(C2(c3cccc(-c4cncnc4)c3)N=C(N)c3ccccc32)ccn1.
What is the InChIKey of 3-(2-propan-2-yl-4-pyridinyl)-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine?
The InChIKey is BSJUWHOXOHIPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5/c1-17(2)24-13-21(10-11-30-24)26(23-9-4-3-8-22(23)25(27)31-26)20-7-5-6-18(12-20)19-14-28-16-29-15-19/h3-17H,1-2H3,(H2,27,31).
What are the key properties of 3-(2-propan-2-yl-4-pyridinyl)-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine?
3-(2-propan-2-yl-4-pyridinyl)-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine has a molecular weight of 405.51 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propan-2-yl-4-pyridinyl)-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine is sourced from PubChem (CID 24874780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).