2-(4-chloro-2-methoxyphenyl)-N-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-b]pyridin-6-amine

C19H22ClN5O — CID 170743484

IUPAC2-(4-chloro-2-methoxyphenyl)-N-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-b]pyridin-6-amine
SMILESCOc1cc(Cl)ccc1-n1cc2ccc(N[C@@H]3CCCN(C)C3)nc2n1
InChIInChI=1S/C19H22ClN5O/c1-24-9-3-4-15(12-24)21-18-8-5-13-11-25(23-19(13)22-18)16-7-6-14(20)10-17(16)26-2/h5-8,10-11,15H,3-4,9,12H2,1-2H3,(H,21,22,23)/t15-/m1/s1
InChIKeySLSKUQOLFHUGPS-OAHLLOKOSA-N
MW371.87 g/mol
LogP3.59
Rot. Bonds4

About 2-(4-chloro-2-methoxyphenyl)-N-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-b]pyridin-6-amine

2-(4-chloro-2-methoxyphenyl)-N-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-b]pyridin-6-amine (PubChem CID 170743484) has the molecular formula C19H22ClN5O and a molecular weight of 371.87 g/mol. Its IUPAC name is 2-(4-chloro-2-methoxyphenyl)-N-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-b]pyridin-6-amine.

Molecular Properties

Compound Name2-(4-chloro-2-methoxyphenyl)-N-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-b]pyridin-6-amine
PubChem CID170743484
Molecular FormulaC19H22ClN5O
Molecular Weight371.87 g/mol
Exact Mass371.15
IUPAC Name2-(4-chloro-2-methoxyphenyl)-N-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-b]pyridin-6-amine
SMILESCOc1cc(Cl)ccc1-n1cc2ccc(N[C@@H]3CCCN(C)C3)nc2n1
InChIInChI=1S/C19H22ClN5O/c1-24-9-3-4-15(12-24)21-18-8-5-13-11-25(23-19(13)22-18)16-7-6-14(20)10-17(16)26-2/h5-8,10-11,15H,3-4,9,12H2,1-2H3,(H,21,22,23)/t15-/m1/s1
InChIKeySLSKUQOLFHUGPS-OAHLLOKOSA-N
XLogP3.59
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-chloro-2-methoxyphenyl)-N-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-b]pyridin-6-amine with MolForge

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Related Compounds

2-[2-methoxy-4-(trifluoromethyl)phenyl]-N-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-b]pyridin-6-amine
CID 170743427
6-(4-chloro-2-methoxyphenyl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine
CID 167137954
2-(2-methoxy-4,6-dimethylphenyl)-N-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-6-amine
CID 176905785
N-(4-fluoro-3-methoxyphenyl)-1-methylpiperidin-3-amine
CID 114838333
6-chloro-N-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715566
2-[2-methoxy-6-methyl-4-(trifluoromethyl)phenyl]-N-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-6-amine
CID 176905820
7-chloro-5-(4-chloro-2-methoxy-6-methylphenyl)-N-[(3R)-1-methylpiperidin-3-yl]-[1,3]thiazolo[4,5-d]pyrimidin-2-amine
CID 176905845
6-(2-methoxynaphthalen-1-yl)-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine
CID 167137722
2-fluoro-5-methoxy-1-N-(1-methylpiperidin-3-yl)benzene-1,4-diamine
CID 107258883
6-(3-methoxy-4-pyridinyl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine
CID 167137767
methyl 4-[(1-methylpiperidin-3-yl)amino]pyrimidine-2-carboxylate
CID 66284636
4-chloro-2-methoxy-N-[2-(1-methylpiperidin-3-yl)ethyl]benzamide
CID 56716852

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methoxyphenyl)-N-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-b]pyridin-6-amine?
The IUPAC name of 2-(4-chloro-2-methoxyphenyl)-N-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-b]pyridin-6-amine (CID 170743484) is 2-(4-chloro-2-methoxyphenyl)-N-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-b]pyridin-6-amine.
What is the SMILES notation for 2-(4-chloro-2-methoxyphenyl)-N-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-b]pyridin-6-amine?
The canonical SMILES for 2-(4-chloro-2-methoxyphenyl)-N-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-b]pyridin-6-amine is COc1cc(Cl)ccc1-n1cc2ccc(N[C@@H]3CCCN(C)C3)nc2n1.
What is the InChIKey of 2-(4-chloro-2-methoxyphenyl)-N-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-b]pyridin-6-amine?
The InChIKey is SLSKUQOLFHUGPS-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H22ClN5O/c1-24-9-3-4-15(12-24)21-18-8-5-13-11-25(23-19(13)22-18)16-7-6-14(20)10-17(16)26-2/h5-8,10-11,15H,3-4,9,12H2,1-2H3,(H,21,22,23)/t15-/m1/s1.
What are the key properties of 2-(4-chloro-2-methoxyphenyl)-N-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-b]pyridin-6-amine?
2-(4-chloro-2-methoxyphenyl)-N-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-b]pyridin-6-amine has a molecular weight of 371.87 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methoxyphenyl)-N-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-b]pyridin-6-amine is sourced from PubChem (CID 170743484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).