N-[1-[4-chloro-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-3-yl]acetamide

C20H22ClN5O2 — CID 135205014

IUPACN-[1-[4-chloro-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-3-yl]acetamide
SMILESCOc1ccc(Cn2nc(N3CCC(NC(C)=O)C3)c3c(Cl)ccnc32)cc1
InChIInChI=1S/C20H22ClN5O2/c1-13(27)23-15-8-10-25(12-15)20-18-17(21)7-9-22-19(18)26(24-20)11-14-3-5-16(28-2)6-4-14/h3-7,9,15H,8,10-12H2,1-2H3,(H,23,27)
InChIKeyOWMFTWSXSKBXCF-UHFFFAOYSA-N
MW399.88 g/mol
LogP2.86
Rot. Bonds5

About N-[1-[4-chloro-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-3-yl]acetamide

N-[1-[4-chloro-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-3-yl]acetamide (PubChem CID 135205014) has the molecular formula C20H22ClN5O2 and a molecular weight of 399.88 g/mol. Its IUPAC name is N-[1-[4-chloro-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[4-chloro-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-3-yl]acetamide
PubChem CID135205014
Molecular FormulaC20H22ClN5O2
Molecular Weight399.88 g/mol
Exact Mass399.15
IUPAC NameN-[1-[4-chloro-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-3-yl]acetamide
SMILESCOc1ccc(Cn2nc(N3CCC(NC(C)=O)C3)c3c(Cl)ccnc32)cc1
InChIInChI=1S/C20H22ClN5O2/c1-13(27)23-15-8-10-25(12-15)20-18-17(21)7-9-22-19(18)26(24-20)11-14-3-5-16(28-2)6-4-14/h3-7,9,15H,8,10-12H2,1-2H3,(H,23,27)
InChIKeyOWMFTWSXSKBXCF-UHFFFAOYSA-N
XLogP2.86
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N'-[1-[4-chloro-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-3-yl]-N-methylpropane-1,3-diamine
CID 135204305
2-(4-methoxyphenyl)-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)acetamide
CID 134798208
3-bromo-4-chloro-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine;tert-butyl (3R)-3-[[4-chloro-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]amino]pyrrolidine-1-carboxylate;cyclopentanamine
CID 160775497
N-[4-[3-[3-(dimethylamino)pyrrolidin-1-yl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]oxy-3-fluorophenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide
CID 68513141
N-[1-(7-chloroquinolin-4-yl)pyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide;2,2,2-trifluoroacetic acid
CID 44526011
4-[1-[(4-methoxyphenyl)methyl]-3-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-4-yl]oxybenzoic acid
CID 118623541
N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(4-methoxyphenoxy)acetamide
CID 24791479
N-[1-[6-(3-acetamidopyrrolidin-1-yl)-5-methylpyrimidin-4-yl]pyrrolidin-3-yl]acetamide
CID 138033621
acetyl chloride;1-[(3R)-3-[[1-[(4-methoxyphenyl)methyl]-4-(4-methylphenoxy)pyrazolo[3,4-b]pyridin-3-yl]amino]pyrrolidin-1-yl]ethanone;1-[(4-methoxyphenyl)methyl]-4-(4-methylphenoxy)-N-[(3R)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-3-amine
CID 159312688
N-[1-(4-phenylmethoxyphenyl)pyrrolidin-3-yl]acetamide
CID 138534083
tert-butyl N-[(3S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]carbamate
CID 53256445
2-(4-methoxyphenyl)-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)acetamide
CID 134799199

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-chloro-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[1-[4-chloro-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-3-yl]acetamide (CID 135205014) is N-[1-[4-chloro-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[4-chloro-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[1-[4-chloro-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-3-yl]acetamide is COc1ccc(Cn2nc(N3CCC(NC(C)=O)C3)c3c(Cl)ccnc32)cc1.
What is the InChIKey of N-[1-[4-chloro-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-3-yl]acetamide?
The InChIKey is OWMFTWSXSKBXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O2/c1-13(27)23-15-8-10-25(12-15)20-18-17(21)7-9-22-19(18)26(24-20)11-14-3-5-16(28-2)6-4-14/h3-7,9,15H,8,10-12H2,1-2H3,(H,23,27).
What are the key properties of N-[1-[4-chloro-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-3-yl]acetamide?
N-[1-[4-chloro-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-3-yl]acetamide has a molecular weight of 399.88 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-chloro-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 135205014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).