7-N-(2-methylphenyl)-4-(3-propan-2-yloxyphenyl)-1H-pyrazolo[5,4-c]pyridine-3,7-diamine

C22H23N5O — CID 50995265

IUPAC7-N-(2-methylphenyl)-4-(3-propan-2-yloxyphenyl)-1H-pyrazolo[5,4-c]pyridine-3,7-diamine
SMILESCc1ccccc1Nc1ncc(-c2cccc(OC(C)C)c2)c2c(N)n[nH]c12
InChIInChI=1S/C22H23N5O/c1-13(2)28-16-9-6-8-15(11-16)17-12-24-22(20-19(17)21(23)27-26-20)25-18-10-5-4-7-14(18)3/h4-13H,1-3H3,(H,24,25)(H3,23,26,27)
InChIKeyXMJHDTUVOJUPFC-UHFFFAOYSA-N
MW373.46 g/mol
LogP5.05
Rot. Bonds5

About 7-N-(2-methylphenyl)-4-(3-propan-2-yloxyphenyl)-1H-pyrazolo[5,4-c]pyridine-3,7-diamine

7-N-(2-methylphenyl)-4-(3-propan-2-yloxyphenyl)-1H-pyrazolo[5,4-c]pyridine-3,7-diamine (PubChem CID 50995265) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 7-N-(2-methylphenyl)-4-(3-propan-2-yloxyphenyl)-1H-pyrazolo[5,4-c]pyridine-3,7-diamine.

Molecular Properties

Compound Name7-N-(2-methylphenyl)-4-(3-propan-2-yloxyphenyl)-1H-pyrazolo[5,4-c]pyridine-3,7-diamine
PubChem CID50995265
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name7-N-(2-methylphenyl)-4-(3-propan-2-yloxyphenyl)-1H-pyrazolo[5,4-c]pyridine-3,7-diamine
SMILESCc1ccccc1Nc1ncc(-c2cccc(OC(C)C)c2)c2c(N)n[nH]c12
InChIInChI=1S/C22H23N5O/c1-13(2)28-16-9-6-8-15(11-16)17-12-24-22(20-19(17)21(23)27-26-20)25-18-10-5-4-7-14(18)3/h4-13H,1-3H3,(H,24,25)(H3,23,26,27)
InChIKeyXMJHDTUVOJUPFC-UHFFFAOYSA-N
XLogP5.05
TPSA88.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.46
LogP ≤ 55.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]-1H-pyrazolo[4,3-c]pyridine
CID 74223726
MLi-2
CID 78319901
3-[2-(Morpholin-4-Yl)pyridin-4-Yl]-5-[(Propan-2-Yl)oxy]-1h-Indazole
CID 90400979
N'-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-N,N-dimethylethane-1,2-diamine
CID 943137
3-(3-Phenoxybenzyl)amino-|A-carboline
CID 56666556
7-[(3R,4S,6S,10R)-4-benzyl-2-oxa-7,13,14-triazatetracyclo[14.3.1.1~3,6~.1~11,14~]docosa-1(20),11(21),12,16,18-pentaen-10-yl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 138712432
3-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]triazolo[4,5-b]pyridin-6-amine
CID 42602774
5-Isopropoxy-3-(2-(4-methylpiperazin-1-yl)pyridin-4-yl)-1H-indazole
CID 90400782
5-[3-(3-Methoxyphenyl)propyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine
CID 118708236
N-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-N',N'-diethylethane-1,2-diamine
CID 943305
8-ethoxy-N-(2-methylpropyl)-5H-pyrimido[5,4-b]indol-4-amine
CID 943338
8-ethoxy-N-(3-methylbutyl)-5H-pyrimido[5,4-b]indol-4-amine
CID 945500

Frequently Asked Questions

What is the IUPAC name of 7-N-(2-methylphenyl)-4-(3-propan-2-yloxyphenyl)-1H-pyrazolo[5,4-c]pyridine-3,7-diamine?
The IUPAC name of 7-N-(2-methylphenyl)-4-(3-propan-2-yloxyphenyl)-1H-pyrazolo[5,4-c]pyridine-3,7-diamine (CID 50995265) is 7-N-(2-methylphenyl)-4-(3-propan-2-yloxyphenyl)-1H-pyrazolo[5,4-c]pyridine-3,7-diamine.
What is the SMILES notation for 7-N-(2-methylphenyl)-4-(3-propan-2-yloxyphenyl)-1H-pyrazolo[5,4-c]pyridine-3,7-diamine?
The canonical SMILES for 7-N-(2-methylphenyl)-4-(3-propan-2-yloxyphenyl)-1H-pyrazolo[5,4-c]pyridine-3,7-diamine is Cc1ccccc1Nc1ncc(-c2cccc(OC(C)C)c2)c2c(N)n[nH]c12.
What is the InChIKey of 7-N-(2-methylphenyl)-4-(3-propan-2-yloxyphenyl)-1H-pyrazolo[5,4-c]pyridine-3,7-diamine?
The InChIKey is XMJHDTUVOJUPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-13(2)28-16-9-6-8-15(11-16)17-12-24-22(20-19(17)21(23)27-26-20)25-18-10-5-4-7-14(18)3/h4-13H,1-3H3,(H,24,25)(H3,23,26,27).
What are the key properties of 7-N-(2-methylphenyl)-4-(3-propan-2-yloxyphenyl)-1H-pyrazolo[5,4-c]pyridine-3,7-diamine?
7-N-(2-methylphenyl)-4-(3-propan-2-yloxyphenyl)-1H-pyrazolo[5,4-c]pyridine-3,7-diamine has a molecular weight of 373.46 g/mol, XLogP of 5.05, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-(2-methylphenyl)-4-(3-propan-2-yloxyphenyl)-1H-pyrazolo[5,4-c]pyridine-3,7-diamine is sourced from PubChem (CID 50995265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).