2-cyano-N-[3-[6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]acetamide

C19H19N7O2 — CID 162645611

IUPAC2-cyano-N-[3-[6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]acetamide
SMILESCOCCn1cc(Nc2cc(-c3cccc(NC(=O)CC#N)c3)ncn2)cn1
InChIInChI=1S/C19H19N7O2/c1-28-8-7-26-12-16(11-23-26)24-18-10-17(21-13-22-18)14-3-2-4-15(9-14)25-19(27)5-6-20/h2-4,9-13H,5,7-8H2,1H3,(H,25,27)(H,21,22,24)
InChIKeyVVTLSOHVNNDMFQ-UHFFFAOYSA-N
MW377.41 g/mol
LogP2.58
Rot. Bonds8

About 2-cyano-N-[3-[6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]acetamide

2-cyano-N-[3-[6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]acetamide (PubChem CID 162645611) has the molecular formula C19H19N7O2 and a molecular weight of 377.41 g/mol. Its IUPAC name is 2-cyano-N-[3-[6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[3-[6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]acetamide
PubChem CID162645611
Molecular FormulaC19H19N7O2
Molecular Weight377.41 g/mol
Exact Mass377.16
IUPAC Name2-cyano-N-[3-[6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]acetamide
SMILESCOCCn1cc(Nc2cc(-c3cccc(NC(=O)CC#N)c3)ncn2)cn1
InChIInChI=1S/C19H19N7O2/c1-28-8-7-26-12-16(11-23-26)24-18-10-17(21-13-22-18)14-3-2-4-15(9-14)25-19(27)5-6-20/h2-4,9-13H,5,7-8H2,1H3,(H,25,27)(H,21,22,24)
InChIKeyVVTLSOHVNNDMFQ-UHFFFAOYSA-N
XLogP2.58
TPSA117.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[3-[6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]acetamide?
The IUPAC name of 2-cyano-N-[3-[6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]acetamide (CID 162645611) is 2-cyano-N-[3-[6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[3-[6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[3-[6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]acetamide is COCCn1cc(Nc2cc(-c3cccc(NC(=O)CC#N)c3)ncn2)cn1.
What is the InChIKey of 2-cyano-N-[3-[6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]acetamide?
The InChIKey is VVTLSOHVNNDMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O2/c1-28-8-7-26-12-16(11-23-26)24-18-10-17(21-13-22-18)14-3-2-4-15(9-14)25-19(27)5-6-20/h2-4,9-13H,5,7-8H2,1H3,(H,25,27)(H,21,22,24).
What are the key properties of 2-cyano-N-[3-[6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]acetamide?
2-cyano-N-[3-[6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]acetamide has a molecular weight of 377.41 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[3-[6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]acetamide is sourced from PubChem (CID 162645611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).