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

C18H18N8O — CID 118619984

IUPAC5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-(oxolan-3-ylamino)pyridine-3-carbonitrile
SMILESCn1cc(Nc2nccc(-c3cnc(NC4CCOC4)c(C#N)c3)n2)cn1
InChIInChI=1S/C18H18N8O/c1-26-10-15(9-22-26)24-18-20-4-2-16(25-18)13-6-12(7-19)17(21-8-13)23-14-3-5-27-11-14/h2,4,6,8-10,14H,3,5,11H2,1H3,(H,21,23)(H,20,24,25)
InChIKeyWVJPKNOQXFGHGR-UHFFFAOYSA-N
MW362.40 g/mol
LogP2.09
Rot. Bonds5

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

5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-(oxolan-3-ylamino)pyridine-3-carbonitrile (PubChem CID 118619984) has the molecular formula C18H18N8O and a molecular weight of 362.40 g/mol. Its IUPAC name is 5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-(oxolan-3-ylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-(oxolan-3-ylamino)pyridine-3-carbonitrile
PubChem CID118619984
Molecular FormulaC18H18N8O
Molecular Weight362.40 g/mol
Exact Mass362.16
IUPAC Name5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-(oxolan-3-ylamino)pyridine-3-carbonitrile
SMILESCn1cc(Nc2nccc(-c3cnc(NC4CCOC4)c(C#N)c3)n2)cn1
InChIInChI=1S/C18H18N8O/c1-26-10-15(9-22-26)24-18-20-4-2-16(25-18)13-6-12(7-19)17(21-8-13)23-14-3-5-27-11-14/h2,4,6,8-10,14H,3,5,11H2,1H3,(H,21,23)(H,20,24,25)
InChIKeyWVJPKNOQXFGHGR-UHFFFAOYSA-N
XLogP2.09
TPSA113.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[5-(morpholin-4-yl)pyridin-3-yl]pyrimidin-4-yl]acetamide
CID 25074313
2-[[1-Cyclopentyl-5-[1-(Oxetan-3-Yl)piperidin-4-Yl]pyrazol-3-Yl]amino]pyridine-4-Carbonitrile
CID 91936970
5-[4-(Aminomethyl)-1-piperidinyl]-1-(2-ethoxyethyl)-3-ethyl-N-(4-methyl-2-pyridinyl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 11568346
5-(4-aminopiperidin-1-yl)-1-(2-ethoxyethyl)-3-ethyl-N-(4-methylpyridin-2-yl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 11575452
1-(2-ethoxyethyl)-3-ethyl-N5-(1-methylpiperidin-4-yl)-N7-(4-methylpyridin-2-yl)-1H-pyrazolo[4,3-d]pyrimidine-5,7-diamine
CID 11647832
5-(1,4-diazepan-1-yl)-1-(2-ethoxyethyl)-3-ethyl-N-(4-methylpyridin-2-yl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 11690391
1-(2-ethoxyethyl)-3-ethyl-N-(4-methyl-2-pyridinyl)-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidin-7-amine
CID 46887035
1-(2-ethoxyethyl)-3-ethyl-5-(4-methylpiperazin-1-yl)-N-(4-methylpyridin-2-yl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 46888560
1-(2-ethoxyethyl)-3-ethyl-N7-(4-methylpyridin-2-yl)-N5-(piperidin-4-yl)-1H-pyrazolo[4,3-d]pyrimidine-5,7-diamine
CID 46888595
1-(2-ethoxyethyl)-3-ethyl-N5-methyl-N5-(1-methylpiperidin-4-yl)-N7-(4-methylpyridin-2-yl)-1H-pyrazolo[4,3-d]pyrimidine-5,7-diamine
CID 46888597
1-(2-ethoxyethyl)-3-ethyl-N7-(4-methylpyridin-2-yl)-N5-(piperidin-4-ylmethyl)-1H-pyrazolo[4,3-d]pyrimidine-5,7-diamine
CID 46888659
1-ethyl-3-[4-[7-[(3S)-3-ethylmorpholin-4-yl]-1-methylpyrazolo[4,5-d]pyrimidin-5-yl]phenyl]urea
CID 51355620

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-(oxolan-3-ylamino)pyridine-3-carbonitrile?
The IUPAC name of 5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-(oxolan-3-ylamino)pyridine-3-carbonitrile (CID 118619984) is 5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-(oxolan-3-ylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-(oxolan-3-ylamino)pyridine-3-carbonitrile?
The canonical SMILES for 5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-(oxolan-3-ylamino)pyridine-3-carbonitrile is Cn1cc(Nc2nccc(-c3cnc(NC4CCOC4)c(C#N)c3)n2)cn1.
What is the InChIKey of 5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-(oxolan-3-ylamino)pyridine-3-carbonitrile?
The InChIKey is WVJPKNOQXFGHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N8O/c1-26-10-15(9-22-26)24-18-20-4-2-16(25-18)13-6-12(7-19)17(21-8-13)23-14-3-5-27-11-14/h2,4,6,8-10,14H,3,5,11H2,1H3,(H,21,23)(H,20,24,25).
What are the key properties of 5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-(oxolan-3-ylamino)pyridine-3-carbonitrile?
5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-(oxolan-3-ylamino)pyridine-3-carbonitrile has a molecular weight of 362.40 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-(oxolan-3-ylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 118619984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).