N-(6-chloro-5-methyl-3-pyridinyl)-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide

C22H20ClN7O — CID 166877311

IUPACN-(6-chloro-5-methyl-3-pyridinyl)-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide
SMILESCc1cc(NC(=O)Cc2ccc(-c3cnc(Nc4cnn(C)c4)nc3)cc2)cnc1Cl
InChIInChI=1S/C22H20ClN7O/c1-14-7-18(11-24-21(14)23)28-20(31)8-15-3-5-16(6-4-15)17-9-25-22(26-10-17)29-19-12-27-30(2)13-19/h3-7,9-13H,8H2,1-2H3,(H,28,31)(H,25,26,29)
InChIKeyCMGQCDVCIMURBL-UHFFFAOYSA-N
MW433.90 g/mol
LogP4.16
Rot. Bonds6

About N-(6-chloro-5-methyl-3-pyridinyl)-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide

N-(6-chloro-5-methyl-3-pyridinyl)-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide (PubChem CID 166877311) has the molecular formula C22H20ClN7O and a molecular weight of 433.90 g/mol. Its IUPAC name is N-(6-chloro-5-methyl-3-pyridinyl)-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-(6-chloro-5-methyl-3-pyridinyl)-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide
PubChem CID166877311
Molecular FormulaC22H20ClN7O
Molecular Weight433.90 g/mol
Exact Mass433.14
IUPAC NameN-(6-chloro-5-methyl-3-pyridinyl)-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide
SMILESCc1cc(NC(=O)Cc2ccc(-c3cnc(Nc4cnn(C)c4)nc3)cc2)cnc1Cl
InChIInChI=1S/C22H20ClN7O/c1-14-7-18(11-24-21(14)23)28-20(31)8-15-3-5-16(6-4-15)17-9-25-22(26-10-17)29-19-12-27-30(2)13-19/h3-7,9-13H,8H2,1-2H3,(H,28,31)(H,25,26,29)
InChIKeyCMGQCDVCIMURBL-UHFFFAOYSA-N
XLogP4.16
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.90
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide
CID 130423243
N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide
CID 130423376
N-(2-methoxy-4-pyridinyl)-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide
CID 130423288
2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide
CID 130423326
N-[4-cyano-3-(trifluoromethyl)phenyl]-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide
CID 130423399
2-[4-[2-[(1-cyclopropylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide
CID 130423239
N-(6-chloropyridazin-4-yl)-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide
CID 149108373
N-[(1E,3E)-4-amino-4-chloro-1-(methylideneamino)buta-1,3-dien-2-yl]-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide
CID 145371373
2-[4-[2-[(1-ethylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide
CID 130423336
N-(6-chloro-5-methyl-3-pyridinyl)-2-(3-chlorophenyl)acetamide
CID 103745271
N-(2-cyclopropyl-4-pyridinyl)-2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide
CID 130423402
N-(6-chloro-5-methyl-3-pyridinyl)-2-(3-methoxyphenyl)acetamide
CID 103730431

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-5-methyl-3-pyridinyl)-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide?
The IUPAC name of N-(6-chloro-5-methyl-3-pyridinyl)-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide (CID 166877311) is N-(6-chloro-5-methyl-3-pyridinyl)-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide.
What is the SMILES notation for N-(6-chloro-5-methyl-3-pyridinyl)-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide?
The canonical SMILES for N-(6-chloro-5-methyl-3-pyridinyl)-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide is Cc1cc(NC(=O)Cc2ccc(-c3cnc(Nc4cnn(C)c4)nc3)cc2)cnc1Cl.
What is the InChIKey of N-(6-chloro-5-methyl-3-pyridinyl)-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide?
The InChIKey is CMGQCDVCIMURBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN7O/c1-14-7-18(11-24-21(14)23)28-20(31)8-15-3-5-16(6-4-15)17-9-25-22(26-10-17)29-19-12-27-30(2)13-19/h3-7,9-13H,8H2,1-2H3,(H,28,31)(H,25,26,29).
What are the key properties of N-(6-chloro-5-methyl-3-pyridinyl)-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide?
N-(6-chloro-5-methyl-3-pyridinyl)-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide has a molecular weight of 433.90 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-5-methyl-3-pyridinyl)-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide is sourced from PubChem (CID 166877311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).