N-cyclopentyl-6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-amine

C21H26N4O4 — CID 162642936

IUPACN-cyclopentyl-6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-amine
SMILESCOc1ccc2c(N(c3cc(OC)c(OC)c(OC)c3)C3CCCC3)n[nH]c2n1
InChIInChI=1S/C21H26N4O4/c1-26-16-11-14(12-17(27-2)19(16)29-4)25(13-7-5-6-8-13)21-15-9-10-18(28-3)22-20(15)23-24-21/h9-13H,5-8H2,1-4H3,(H,22,23,24)
InChIKeyQNSXEIZRJHQLJO-UHFFFAOYSA-N
MW398.46 g/mol
LogP4.07
Rot. Bonds7

About N-cyclopentyl-6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-amine

N-cyclopentyl-6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-amine (PubChem CID 162642936) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is N-cyclopentyl-6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-amine.

Molecular Properties

Compound NameN-cyclopentyl-6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-amine
PubChem CID162642936
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC NameN-cyclopentyl-6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-amine
SMILESCOc1ccc2c(N(c3cc(OC)c(OC)c(OC)c3)C3CCCC3)n[nH]c2n1
InChIInChI=1S/C21H26N4O4/c1-26-16-11-14(12-17(27-2)19(16)29-4)25(13-7-5-6-8-13)21-15-9-10-18(28-3)22-20(15)23-24-21/h9-13H,5-8H2,1-4H3,(H,22,23,24)
InChIKeyQNSXEIZRJHQLJO-UHFFFAOYSA-N
XLogP4.07
TPSA81.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-cyclopentyl-6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-amine with MolForge

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Launch Full Analysis

Related Compounds

N~4~-(3-methyl-1H-indazol-6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 9822610
3-[3-(1,3-benzodioxol-5-ylamino)-1H-1,2,4-triazol-5-yl]-N-(3,5-dimethoxyphenyl)pyridin-2-amine
CID 11189667
7-(3-(2-(2H-tetrazol-5-yl)ethyl)phenyl)-N-(3,4,5-trimethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 11225226
7-(3-(2H-tetrazol-5-yl)phenyl)-N-(3,4,5-trimethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 11293706
7-(3-((2H-tetrazol-5-yl)methyl)phenyl)-N-(3,4,5-trimethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 44411411
N-(3,4-Dimethoxy-5-(3-(4-methylpiperazin-1-yl)propoxy)phenyl)-1-(4-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 121230617
N~4~-methyl-N~4~-(3-methyl-1H-indazol-6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 24941243
2,5-dimethyl-N-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 5307761
3-[3-(1,3-benzodioxol-5-ylamino)-1H-1,2,4-triazol-5-yl]-N-(3,5-dimethoxyphenyl)pyridin-4-amine
CID 44405638
3-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1H-1,2,4-triazol-5-yl]-N-(3,5-dimethoxyphenyl)pyridin-4-amine
CID 44405686
N4-(1H-indazol-5-yl)-N2-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 54583448
N4-(1H-indazol-6-yl)-N2-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 54586329

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-amine?
The IUPAC name of N-cyclopentyl-6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-amine (CID 162642936) is N-cyclopentyl-6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-amine.
What is the SMILES notation for N-cyclopentyl-6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-amine?
The canonical SMILES for N-cyclopentyl-6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-amine is COc1ccc2c(N(c3cc(OC)c(OC)c(OC)c3)C3CCCC3)n[nH]c2n1.
What is the InChIKey of N-cyclopentyl-6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-amine?
The InChIKey is QNSXEIZRJHQLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-26-16-11-14(12-17(27-2)19(16)29-4)25(13-7-5-6-8-13)21-15-9-10-18(28-3)22-20(15)23-24-21/h9-13H,5-8H2,1-4H3,(H,22,23,24).
What are the key properties of N-cyclopentyl-6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-amine?
N-cyclopentyl-6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-amine has a molecular weight of 398.46 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-amine is sourced from PubChem (CID 162642936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).