N-(2-methoxy-4-pyridinyl)-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide

C22H21N7O2 — CID 130423288

IUPACN-(2-methoxy-4-pyridinyl)-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide
SMILESCOc1cc(NC(=O)Cc2ccc(-c3cnc(Nc4cnn(C)c4)nc3)cc2)ccn1
InChIInChI=1S/C22H21N7O2/c1-29-14-19(13-26-29)28-22-24-11-17(12-25-22)16-5-3-15(4-6-16)9-20(30)27-18-7-8-23-21(10-18)31-2/h3-8,10-14H,9H2,1-2H3,(H,23,27,30)(H,24,25,28)
InChIKeyPDDFHHXRUHECIX-UHFFFAOYSA-N
MW415.46 g/mol
LogP3.21
Rot. Bonds7

About N-(2-methoxy-4-pyridinyl)-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide

N-(2-methoxy-4-pyridinyl)-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide (PubChem CID 130423288) has the molecular formula C22H21N7O2 and a molecular weight of 415.46 g/mol. Its IUPAC name is N-(2-methoxy-4-pyridinyl)-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-(2-methoxy-4-pyridinyl)-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide
PubChem CID130423288
Molecular FormulaC22H21N7O2
Molecular Weight415.46 g/mol
Exact Mass415.18
IUPAC NameN-(2-methoxy-4-pyridinyl)-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide
SMILESCOc1cc(NC(=O)Cc2ccc(-c3cnc(Nc4cnn(C)c4)nc3)cc2)ccn1
InChIInChI=1S/C22H21N7O2/c1-29-14-19(13-26-29)28-22-24-11-17(12-25-22)16-5-3-15(4-6-16)9-20(30)27-18-7-8-23-21(10-18)31-2/h3-8,10-14H,9H2,1-2H3,(H,23,27,30)(H,24,25,28)
InChIKeyPDDFHHXRUHECIX-UHFFFAOYSA-N
XLogP3.21
TPSA106.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide
CID 130423326
N-(6-chloro-5-methyl-3-pyridinyl)-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide
CID 166877311
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-[4-cyano-3-(trifluoromethyl)phenyl]-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide
CID 130423399
N-(2-cyclopropyl-4-pyridinyl)-2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide
CID 130423402
2-[4-[2-[(1-ethylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide
CID 130423336
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-cyclopropylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide
CID 130423239
2-methoxy-N-(2-methoxy-4-pyridinyl)acetamide
CID 130524601
N-(1-methylpyrazol-4-yl)-5-[4-[2-(pyridin-3-ylamino)ethyl]phenyl]pyrimidin-2-amine
CID 166877286
2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide
CID 130423623

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-pyridinyl)-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide?
The IUPAC name of N-(2-methoxy-4-pyridinyl)-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide (CID 130423288) is N-(2-methoxy-4-pyridinyl)-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide.
What is the SMILES notation for N-(2-methoxy-4-pyridinyl)-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide?
The canonical SMILES for N-(2-methoxy-4-pyridinyl)-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide is COc1cc(NC(=O)Cc2ccc(-c3cnc(Nc4cnn(C)c4)nc3)cc2)ccn1.
What is the InChIKey of N-(2-methoxy-4-pyridinyl)-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide?
The InChIKey is PDDFHHXRUHECIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O2/c1-29-14-19(13-26-29)28-22-24-11-17(12-25-22)16-5-3-15(4-6-16)9-20(30)27-18-7-8-23-21(10-18)31-2/h3-8,10-14H,9H2,1-2H3,(H,23,27,30)(H,24,25,28).
What are the key properties of N-(2-methoxy-4-pyridinyl)-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide?
N-(2-methoxy-4-pyridinyl)-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide has a molecular weight of 415.46 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-pyridinyl)-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide is sourced from PubChem (CID 130423288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).