2-[[4-(1-propan-2-ylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-yl]amino]pyridine-4-carbonitrile

C20H17N7 — CID 58367882

IUPAC2-[[4-(1-propan-2-ylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-yl]amino]pyridine-4-carbonitrile
SMILESCC(C)n1cc(-c2ccnc(Nc3cc(C#N)ccn3)n2)c2ccncc21
InChIInChI=1S/C20H17N7/c1-13(2)27-12-16(15-4-6-22-11-18(15)27)17-5-8-24-20(25-17)26-19-9-14(10-21)3-7-23-19/h3-9,11-13H,1-2H3,(H,23,24,25,26)
InChIKeyMLZCNJTXRUKPPU-UHFFFAOYSA-N
MW355.41 g/mol
LogP4.08
Rot. Bonds4

About 2-[[4-(1-propan-2-ylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-yl]amino]pyridine-4-carbonitrile

2-[[4-(1-propan-2-ylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-yl]amino]pyridine-4-carbonitrile (PubChem CID 58367882) has the molecular formula C20H17N7 and a molecular weight of 355.41 g/mol. Its IUPAC name is 2-[[4-(1-propan-2-ylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-yl]amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[[4-(1-propan-2-ylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-yl]amino]pyridine-4-carbonitrile
PubChem CID58367882
Molecular FormulaC20H17N7
Molecular Weight355.41 g/mol
Exact Mass355.15
IUPAC Name2-[[4-(1-propan-2-ylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-yl]amino]pyridine-4-carbonitrile
SMILESCC(C)n1cc(-c2ccnc(Nc3cc(C#N)ccn3)n2)c2ccncc21
InChIInChI=1S/C20H17N7/c1-13(2)27-12-16(15-4-6-22-11-18(15)27)17-5-8-24-20(25-17)26-19-9-14(10-21)3-7-23-19/h3-9,11-13H,1-2H3,(H,23,24,25,26)
InChIKeyMLZCNJTXRUKPPU-UHFFFAOYSA-N
XLogP4.08
TPSA92.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(1-propan-2-ylpyrrolo[2,3-c]pyridin-3-yl)-N-pyridin-2-ylpyrimidin-2-amine
CID 58367945
4-N-[4-(1-propan-2-ylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-yl]benzene-1,4-diamine
CID 89082685
3-bromo-2-[[4-(1-propan-2-ylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-yl]amino]benzonitrile
CID 58367866
N-(3-bromo-5-methylphenyl)-4-(1-propan-2-ylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine
CID 58367911
N-(4-methylsulfanylphenyl)-4-(1-propan-2-ylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine
CID 58367892
N-(3-tert-butyl-5-methylphenyl)-4-(1-propan-2-ylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine
CID 91029306
N-(3-methylsulfanylphenyl)-4-(1-propan-2-ylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine
CID 58367922
4-(1-propan-2-ylpyrrolo[2,3-c]pyridin-3-yl)-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-2-amine
CID 58367886
N-methyl-3-[[4-(1-propan-2-ylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 58367888
N-(2,5-dimethoxyphenyl)-4-(1-propan-2-ylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine
CID 58367858
3-methyl-5-[[4-(1-propan-2-ylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-yl]amino]benzamide
CID 45279657
N-(3-fluoro-6-methoxycyclohexa-2,4-dien-1-yl)-4-(1-propan-2-ylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine
CID 90837824

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(1-propan-2-ylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-yl]amino]pyridine-4-carbonitrile?
The IUPAC name of 2-[[4-(1-propan-2-ylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-yl]amino]pyridine-4-carbonitrile (CID 58367882) is 2-[[4-(1-propan-2-ylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-yl]amino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[[4-(1-propan-2-ylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-yl]amino]pyridine-4-carbonitrile?
The canonical SMILES for 2-[[4-(1-propan-2-ylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-yl]amino]pyridine-4-carbonitrile is CC(C)n1cc(-c2ccnc(Nc3cc(C#N)ccn3)n2)c2ccncc21.
What is the InChIKey of 2-[[4-(1-propan-2-ylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-yl]amino]pyridine-4-carbonitrile?
The InChIKey is MLZCNJTXRUKPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7/c1-13(2)27-12-16(15-4-6-22-11-18(15)27)17-5-8-24-20(25-17)26-19-9-14(10-21)3-7-23-19/h3-9,11-13H,1-2H3,(H,23,24,25,26).
What are the key properties of 2-[[4-(1-propan-2-ylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-yl]amino]pyridine-4-carbonitrile?
2-[[4-(1-propan-2-ylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-yl]amino]pyridine-4-carbonitrile has a molecular weight of 355.41 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1-propan-2-ylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-yl]amino]pyridine-4-carbonitrile is sourced from PubChem (CID 58367882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).