5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylpyridine-3-carbonitrile

C18H18N8 — CID 144686765

IUPAC5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylpyridine-3-carbonitrile
SMILESCn1cc(Nc2nccc(-c3cnc(N4CCCC4)c(C#N)c3)n2)cn1
InChIInChI=1S/C18H18N8/c1-25-12-15(11-22-25)23-18-20-5-4-16(24-18)14-8-13(9-19)17(21-10-14)26-6-2-3-7-26/h4-5,8,10-12H,2-3,6-7H2,1H3,(H,20,23,24)
InChIKeyFAAOXFHZSLXDCO-UHFFFAOYSA-N
MW346.40 g/mol
LogP2.49
Rot. Bonds4

About 5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylpyridine-3-carbonitrile

5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylpyridine-3-carbonitrile (PubChem CID 144686765) has the molecular formula C18H18N8 and a molecular weight of 346.40 g/mol. Its IUPAC name is 5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylpyridine-3-carbonitrile
PubChem CID144686765
Molecular FormulaC18H18N8
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Name5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylpyridine-3-carbonitrile
SMILESCn1cc(Nc2nccc(-c3cnc(N4CCCC4)c(C#N)c3)n2)cn1
InChIInChI=1S/C18H18N8/c1-25-12-15(11-22-25)23-18-20-5-4-16(24-18)14-8-13(9-19)17(21-10-14)26-6-2-3-7-26/h4-5,8,10-12H,2-3,6-7H2,1H3,(H,20,23,24)
InChIKeyFAAOXFHZSLXDCO-UHFFFAOYSA-N
XLogP2.49
TPSA95.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-[2-[[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-yl]amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylpyridine-3-carbonitrile
CID 78322874
5-[2-[3-(1-piperazin-1-ylethenyl)anilino]pyrimidin-4-yl]-2-pyrrolidin-1-ylpyridine-3-carbonitrile
CID 123538759
2-(3-fluoropyrrolidin-1-yl)-5-[2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile
CID 90358805
(2S)-N-[5-[[4-(5-cyano-6-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-2-yl]amino]-2-pyridinyl]pyrrolidine-2-carboxamide
CID 90369680
4-(6-amino-5-fluoro-3-pyridinyl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 151424564
2-[(3S)-3-fluoropyrrolidin-1-yl]-5-[2-[(2-methyl-1,3-dihydroisoindol-5-yl)amino]pyrimidin-4-yl]pyridine-3-carbonitrile
CID 78320667
4-(2-hydrazinyl-4-pyridinyl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 118209525
2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]benzoic acid
CID 150793941
2-[(3S)-3-fluoropyrrolidin-1-yl]-5-[2-[[6-(2-oxo-3-pyrrolidin-1-ylpropyl)-3-pyridinyl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile
CID 158310104
1-[4-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]piperazin-1-yl]ethanone
CID 152574958
2-(3-fluoropyrrolidin-1-yl)-5-[2-[(2-morpholin-4-yl-4-pyridinyl)amino]pyrimidin-4-yl]pyridine-3-carbonitrile
CID 118620110
4-(5-ethynyl-6-pyrrolidin-1-yl-3-pyridinyl)-N-[2-(morpholin-4-ylmethyl)-4-pyridinyl]pyrimidin-2-amine
CID 144686744

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylpyridine-3-carbonitrile?
The IUPAC name of 5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylpyridine-3-carbonitrile (CID 144686765) is 5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylpyridine-3-carbonitrile.
What is the SMILES notation for 5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylpyridine-3-carbonitrile?
The canonical SMILES for 5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylpyridine-3-carbonitrile is Cn1cc(Nc2nccc(-c3cnc(N4CCCC4)c(C#N)c3)n2)cn1.
What is the InChIKey of 5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylpyridine-3-carbonitrile?
The InChIKey is FAAOXFHZSLXDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N8/c1-25-12-15(11-22-25)23-18-20-5-4-16(24-18)14-8-13(9-19)17(21-10-14)26-6-2-3-7-26/h4-5,8,10-12H,2-3,6-7H2,1H3,(H,20,23,24).
What are the key properties of 5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylpyridine-3-carbonitrile?
5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylpyridine-3-carbonitrile has a molecular weight of 346.40 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylpyridine-3-carbonitrile is sourced from PubChem (CID 144686765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).