2-[(2S)-2-cyanopyrrolidin-1-yl]-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridine-3-carbonitrile

C19H17N9 — CID 78323512

IUPAC2-[(2S)-2-cyanopyrrolidin-1-yl]-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridine-3-carbonitrile
SMILESCn1cc(Nc2nccc(-c3cnc(N4CCC[C@H]4C#N)c(C#N)c3)n2)cn1
InChIInChI=1S/C19H17N9/c1-27-12-15(11-24-27)25-19-22-5-4-17(26-19)14-7-13(8-20)18(23-10-14)28-6-2-3-16(28)9-21/h4-5,7,10-12,16H,2-3,6H2,1H3,(H,22,25,26)/t16-/m0/s1
InChIKeyKGBHFGYIQUOGQH-INIZCTEOSA-N
MW371.41 g/mol
LogP2.38
Rot. Bonds4

About 2-[(2S)-2-cyanopyrrolidin-1-yl]-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridine-3-carbonitrile

2-[(2S)-2-cyanopyrrolidin-1-yl]-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridine-3-carbonitrile (PubChem CID 78323512) has the molecular formula C19H17N9 and a molecular weight of 371.41 g/mol. Its IUPAC name is 2-[(2S)-2-cyanopyrrolidin-1-yl]-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(2S)-2-cyanopyrrolidin-1-yl]-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridine-3-carbonitrile
PubChem CID78323512
Molecular FormulaC19H17N9
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC Name2-[(2S)-2-cyanopyrrolidin-1-yl]-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridine-3-carbonitrile
SMILESCn1cc(Nc2nccc(-c3cnc(N4CCC[C@H]4C#N)c(C#N)c3)n2)cn1
InChIInChI=1S/C19H17N9/c1-27-12-15(11-24-27)25-19-22-5-4-17(26-19)14-7-13(8-20)18(23-10-14)28-6-2-3-16(28)9-21/h4-5,7,10-12,16H,2-3,6H2,1H3,(H,22,25,26)/t16-/m0/s1
InChIKeyKGBHFGYIQUOGQH-INIZCTEOSA-N
XLogP2.38
TPSA119.34 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

CID 118023034
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CID 138911331
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CID 146680833
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CID 146681117
CID 146681117
CID 49765254
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CID 92045019
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CID 5329434
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CID 5329435
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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-cyanopyrrolidin-1-yl]-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[(2S)-2-cyanopyrrolidin-1-yl]-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridine-3-carbonitrile (CID 78323512) is 2-[(2S)-2-cyanopyrrolidin-1-yl]-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(2S)-2-cyanopyrrolidin-1-yl]-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[(2S)-2-cyanopyrrolidin-1-yl]-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridine-3-carbonitrile is Cn1cc(Nc2nccc(-c3cnc(N4CCC[C@H]4C#N)c(C#N)c3)n2)cn1.
What is the InChIKey of 2-[(2S)-2-cyanopyrrolidin-1-yl]-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridine-3-carbonitrile?
The InChIKey is KGBHFGYIQUOGQH-INIZCTEOSA-N. The full InChI is InChI=1S/C19H17N9/c1-27-12-15(11-24-27)25-19-22-5-4-17(26-19)14-7-13(8-20)18(23-10-14)28-6-2-3-16(28)9-21/h4-5,7,10-12,16H,2-3,6H2,1H3,(H,22,25,26)/t16-/m0/s1.
What are the key properties of 2-[(2S)-2-cyanopyrrolidin-1-yl]-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridine-3-carbonitrile?
2-[(2S)-2-cyanopyrrolidin-1-yl]-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridine-3-carbonitrile has a molecular weight of 371.41 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-cyanopyrrolidin-1-yl]-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 78323512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).