N-[2-(dimethylamino)ethyl]-2-methoxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methylacetamide

C27H31N5O3 — CID 59824923

IUPACN-[2-(dimethylamino)ethyl]-2-methoxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methylacetamide
SMILESCOc1ccccc1-c1[nH]nc2ncc(-c3cccc(C(OC)C(=O)N(C)CCN(C)C)c3)cc12
InChIInChI=1S/C27H31N5O3/c1-31(2)13-14-32(3)27(33)25(35-5)19-10-8-9-18(15-19)20-16-22-24(29-30-26(22)28-17-20)21-11-6-7-12-23(21)34-4/h6-12,15-17,25H,13-14H2,1-5H3,(H,28,29,30)
InChIKeyRCZCODHUFGRGRT-UHFFFAOYSA-N
MW473.58 g/mol
LogP4.01
Rot. Bonds9

About N-[2-(dimethylamino)ethyl]-2-methoxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methylacetamide

N-[2-(dimethylamino)ethyl]-2-methoxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methylacetamide (PubChem CID 59824923) has the molecular formula C27H31N5O3 and a molecular weight of 473.58 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-methoxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-methoxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methylacetamide
PubChem CID59824923
Molecular FormulaC27H31N5O3
Molecular Weight473.58 g/mol
Exact Mass473.24
IUPAC NameN-[2-(dimethylamino)ethyl]-2-methoxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methylacetamide
SMILESCOc1ccccc1-c1[nH]nc2ncc(-c3cccc(C(OC)C(=O)N(C)CCN(C)C)c3)cc12
InChIInChI=1S/C27H31N5O3/c1-31(2)13-14-32(3)27(33)25(35-5)19-10-8-9-18(15-19)20-16-22-24(29-30-26(22)28-17-20)21-11-6-7-12-23(21)34-4/h6-12,15-17,25H,13-14H2,1-5H3,(H,28,29,30)
InChIKeyRCZCODHUFGRGRT-UHFFFAOYSA-N
XLogP4.01
TPSA83.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-hydroxy-N-(2-hydroxyethyl)-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methylacetamide
CID 59824858
N-(2-cyanoethyl)-2-hydroxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methylacetamide
CID 59824991
2-amino-1-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]ethanol
CID 59825033
N-[2-(dimethylamino)ethyl]-3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]benzamide
CID 59836155
2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]propan-1-amine
CID 145491812
(1S,2S)-1-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-3-methylbutane-1,2-diol
CID 59825021
2-hydroxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methyl-N-pyrrolidin-3-ylacetamide
CID 145491688
2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methyl-N-(1-methylpyrrolidin-3-yl)propanamide
CID 59824993
2-hydroxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methyl-N-(oxan-4-yl)acetamide
CID 59825081
4-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylbenzamide
CID 59836016
5-(furan-3-yl)-3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine
CID 66556608
[2-amino-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-methylphenyl]-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 25144220

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-methoxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methylacetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-methoxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methylacetamide (CID 59824923) is N-[2-(dimethylamino)ethyl]-2-methoxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methylacetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-methoxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methylacetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-methoxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methylacetamide is COc1ccccc1-c1[nH]nc2ncc(-c3cccc(C(OC)C(=O)N(C)CCN(C)C)c3)cc12.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-methoxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methylacetamide?
The InChIKey is RCZCODHUFGRGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O3/c1-31(2)13-14-32(3)27(33)25(35-5)19-10-8-9-18(15-19)20-16-22-24(29-30-26(22)28-17-20)21-11-6-7-12-23(21)34-4/h6-12,15-17,25H,13-14H2,1-5H3,(H,28,29,30).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-methoxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methylacetamide?
N-[2-(dimethylamino)ethyl]-2-methoxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methylacetamide has a molecular weight of 473.58 g/mol, XLogP of 4.01, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-methoxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methylacetamide is sourced from PubChem (CID 59824923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).