N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide

C23H21N9O — CID 130423376

IUPACN-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide
SMILESCc1[nH]nc2ncc(NC(=O)Cc3ccc(-c4cnc(Nc5cnn(C)c5)nc4)cc3)cc12
InChIInChI=1S/C23H21N9O/c1-14-20-8-18(11-24-22(20)31-30-14)28-21(33)7-15-3-5-16(6-4-15)17-9-25-23(26-10-17)29-19-12-27-32(2)13-19/h3-6,8-13H,7H2,1-2H3,(H,28,33)(H,24,30,31)(H,25,26,29)
InChIKeySXGDJONOQZMQGE-UHFFFAOYSA-N
MW439.48 g/mol
LogP3.38
Rot. Bonds6

About N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide

N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide (PubChem CID 130423376) has the molecular formula C23H21N9O and a molecular weight of 439.48 g/mol. Its IUPAC name is N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide
PubChem CID130423376
Molecular FormulaC23H21N9O
Molecular Weight439.48 g/mol
Exact Mass439.19
IUPAC NameN-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide
SMILESCc1[nH]nc2ncc(NC(=O)Cc3ccc(-c4cnc(Nc5cnn(C)c5)nc4)cc3)cc12
InChIInChI=1S/C23H21N9O/c1-14-20-8-18(11-24-22(20)31-30-14)28-21(33)7-15-3-5-16(6-4-15)17-9-25-23(26-10-17)29-19-12-27-32(2)13-19/h3-6,8-13H,7H2,1-2H3,(H,28,33)(H,24,30,31)(H,25,26,29)
InChIKeySXGDJONOQZMQGE-UHFFFAOYSA-N
XLogP3.38
TPSA126.30 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

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-(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
2-[4-[2-[(1-cyclopropylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide
CID 130423239
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-(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
3-(3-bromo-4-methoxyphenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide
CID 86843450
N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-(2-phenoxyethoxy)acetamide
CID 86843517

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide?
The IUPAC name of 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) is N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide.
What is the SMILES notation for N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide?
The canonical SMILES for N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide is Cc1[nH]nc2ncc(NC(=O)Cc3ccc(-c4cnc(Nc5cnn(C)c5)nc4)cc3)cc12.
What is the InChIKey of N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide?
The InChIKey is SXGDJONOQZMQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N9O/c1-14-20-8-18(11-24-22(20)31-30-14)28-21(33)7-15-3-5-16(6-4-15)17-9-25-23(26-10-17)29-19-12-27-32(2)13-19/h3-6,8-13H,7H2,1-2H3,(H,28,33)(H,24,30,31)(H,25,26,29).
What are the key properties of N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide?
N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide has a molecular weight of 439.48 g/mol, XLogP of 3.38, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide is sourced from PubChem (CID 130423376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).