2-[2-naphthalen-2-yl-3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]imidazol-4-yl]propanenitrile

C25H25N7 — CID 153397142

IUPAC2-[2-naphthalen-2-yl-3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]imidazol-4-yl]propanenitrile
SMILESCC(C#N)c1cnc(-c2ccc3ccccc3c2)n1-c1ccnc(NC2CCCNC2)n1
InChIInChI=1S/C25H25N7/c1-17(14-26)22-16-29-24(20-9-8-18-5-2-3-6-19(18)13-20)32(22)23-10-12-28-25(31-23)30-21-7-4-11-27-15-21/h2-3,5-6,8-10,12-13,16-17,21,27H,4,7,11,15H2,1H3,(H,28,30,31)
InChIKeyMLTVWEGAQULWKR-UHFFFAOYSA-N
MW423.52 g/mol
LogP4.27
Rot. Bonds5

About 2-[2-naphthalen-2-yl-3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]imidazol-4-yl]propanenitrile

2-[2-naphthalen-2-yl-3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]imidazol-4-yl]propanenitrile (PubChem CID 153397142) has the molecular formula C25H25N7 and a molecular weight of 423.52 g/mol. Its IUPAC name is 2-[2-naphthalen-2-yl-3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]imidazol-4-yl]propanenitrile.

Molecular Properties

Compound Name2-[2-naphthalen-2-yl-3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]imidazol-4-yl]propanenitrile
PubChem CID153397142
Molecular FormulaC25H25N7
Molecular Weight423.52 g/mol
Exact Mass423.22
IUPAC Name2-[2-naphthalen-2-yl-3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]imidazol-4-yl]propanenitrile
SMILESCC(C#N)c1cnc(-c2ccc3ccccc3c2)n1-c1ccnc(NC2CCCNC2)n1
InChIInChI=1S/C25H25N7/c1-17(14-26)22-16-29-24(20-9-8-18-5-2-3-6-19(18)13-20)32(22)23-10-12-28-25(31-23)30-21-7-4-11-27-15-21/h2-3,5-6,8-10,12-13,16-17,21,27H,4,7,11,15H2,1H3,(H,28,30,31)
InChIKeyMLTVWEGAQULWKR-UHFFFAOYSA-N
XLogP4.27
TPSA91.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-naphthalen-2-yl-3-[2-(oxan-4-ylamino)pyrimidin-4-yl]imidazol-4-yl]acetonitrile
CID 135389001
3-[[4-[5-(hydroxymethyl)-2-naphthalen-2-ylimidazol-1-yl]pyrimidin-2-yl]amino]piperidine-1-carbaldehyde
CID 146310061
tert-butyl 3-[[4-[5-(cyanomethyl)-2-naphthalen-2-ylimidazol-1-yl]pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 135389048
4-(azepan-1-yl)-N-piperidin-3-ylpyrimidin-2-amine
CID 66903769
2-[3-[2-[[1-(cyclopropanecarbonyl)piperidin-3-yl]amino]pyrimidin-4-yl]-2-naphthalen-2-ylimidazol-4-yl]acetic acid
CID 146310030
2-[[(3R)-piperidin-3-yl]amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidine-6-carbonitrile
CID 168932145
cyclopropyl-[(3S)-3-[[4-[5-(methylsulfinylmethyl)-2-naphthalen-2-ylimidazol-1-yl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone
CID 149393469
4-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methoxybenzimidazol-1-yl]-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine
CID 146961167
4-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methoxybenzimidazol-1-yl]-N-piperidin-3-ylpyrimidin-2-amine
CID 146315060
4-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methoxybenzimidazol-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine
CID 142742991
4-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methylbenzimidazol-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine
CID 158391357
[(3S)-3-[[4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-naphthalen-2-ylimidazol-1-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-cyclopropylmethanone
CID 150954033

Frequently Asked Questions

What is the IUPAC name of 2-[2-naphthalen-2-yl-3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]imidazol-4-yl]propanenitrile?
The IUPAC name of 2-[2-naphthalen-2-yl-3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]imidazol-4-yl]propanenitrile (CID 153397142) is 2-[2-naphthalen-2-yl-3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]imidazol-4-yl]propanenitrile.
What is the SMILES notation for 2-[2-naphthalen-2-yl-3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]imidazol-4-yl]propanenitrile?
The canonical SMILES for 2-[2-naphthalen-2-yl-3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]imidazol-4-yl]propanenitrile is CC(C#N)c1cnc(-c2ccc3ccccc3c2)n1-c1ccnc(NC2CCCNC2)n1.
What is the InChIKey of 2-[2-naphthalen-2-yl-3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]imidazol-4-yl]propanenitrile?
The InChIKey is MLTVWEGAQULWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7/c1-17(14-26)22-16-29-24(20-9-8-18-5-2-3-6-19(18)13-20)32(22)23-10-12-28-25(31-23)30-21-7-4-11-27-15-21/h2-3,5-6,8-10,12-13,16-17,21,27H,4,7,11,15H2,1H3,(H,28,30,31).
What are the key properties of 2-[2-naphthalen-2-yl-3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]imidazol-4-yl]propanenitrile?
2-[2-naphthalen-2-yl-3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]imidazol-4-yl]propanenitrile has a molecular weight of 423.52 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-naphthalen-2-yl-3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]imidazol-4-yl]propanenitrile is sourced from PubChem (CID 153397142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).