2-methoxy-6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]pyridine-3-carbonitrile

C15H13N7O — CID 166882333

IUPAC2-methoxy-6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]pyridine-3-carbonitrile
SMILESCOc1nc(-c2cnc(Nc3cnn(C)c3)nc2)ccc1C#N
InChIInChI=1S/C15H13N7O/c1-22-9-12(8-19-22)20-15-17-6-11(7-18-15)13-4-3-10(5-16)14(21-13)23-2/h3-4,6-9H,1-2H3,(H,17,18,20)
InChIKeyCUEMPWPLAPFHML-UHFFFAOYSA-N
MW307.32 g/mol
LogP1.90
Rot. Bonds4

About 2-methoxy-6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]pyridine-3-carbonitrile

2-methoxy-6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]pyridine-3-carbonitrile (PubChem CID 166882333) has the molecular formula C15H13N7O and a molecular weight of 307.32 g/mol. Its IUPAC name is 2-methoxy-6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-methoxy-6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]pyridine-3-carbonitrile
PubChem CID166882333
Molecular FormulaC15H13N7O
Molecular Weight307.32 g/mol
Exact Mass307.12
IUPAC Name2-methoxy-6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]pyridine-3-carbonitrile
SMILESCOc1nc(-c2cnc(Nc3cnn(C)c3)nc2)ccc1C#N
InChIInChI=1S/C15H13N7O/c1-22-9-12(8-19-22)20-15-17-6-11(7-18-15)13-4-3-10(5-16)14(21-13)23-2/h3-4,6-9H,1-2H3,(H,17,18,20)
InChIKeyCUEMPWPLAPFHML-UHFFFAOYSA-N
XLogP1.90
TPSA101.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[(3S)-1-methyl-2-oxopiperidin-3-yl]methylamino]-6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]pyridine-3-carbonitrile
CID 146305235
5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylpyridine-3-carbonitrile
CID 144686765
2-[(2S)-1-(4-fluoroimidazol-1-yl)propan-2-yl]oxy-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]benzonitrile
CID 146304959
6-(4-aminophenyl)-2-methoxypyridine-3-carbonitrile
CID 162439983
6-(4-fluorophenyl)-2-methoxypyridine-3-carbonitrile
CID 71379576
2-(methylamino)-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile
CID 62196464
N-[4-cyano-3-(trifluoromethyl)phenyl]-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide
CID 130423399
4-(6-amino-5-fluoro-3-pyridinyl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 151424564
2,4-difluoro-3-[[[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]methyl]benzonitrile
CID 90031109
2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carbaldehyde
CID 165142431
2-[(1-methylpyrazol-4-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 60968717
4-[(1-methylpyrazol-4-yl)amino]pyridine-2-carbonitrile
CID 62926735

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-methoxy-6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]pyridine-3-carbonitrile (CID 166882333) is 2-methoxy-6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-methoxy-6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-methoxy-6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]pyridine-3-carbonitrile is COc1nc(-c2cnc(Nc3cnn(C)c3)nc2)ccc1C#N.
What is the InChIKey of 2-methoxy-6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]pyridine-3-carbonitrile?
The InChIKey is CUEMPWPLAPFHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N7O/c1-22-9-12(8-19-22)20-15-17-6-11(7-18-15)13-4-3-10(5-16)14(21-13)23-2/h3-4,6-9H,1-2H3,(H,17,18,20).
What are the key properties of 2-methoxy-6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]pyridine-3-carbonitrile?
2-methoxy-6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]pyridine-3-carbonitrile has a molecular weight of 307.32 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 166882333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).