[2-amino-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone

C26H27N5O3 — CID 25144088

IUPAC[2-amino-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
SMILESCOc1ccccc1-c1[nH]nc2ncc(-c3ccc(N)c(C(=O)N4C[C@@H](C)O[C@@H](C)C4)c3)cc12
InChIInChI=1S/C26H27N5O3/c1-15-13-31(14-16(2)34-15)26(32)20-10-17(8-9-22(20)27)18-11-21-24(29-30-25(21)28-12-18)19-6-4-5-7-23(19)33-3/h4-12,15-16H,13-14,27H2,1-3H3,(H,28,29,30)/t15-,16+
InChIKeyAEAWXFIIJWCLEW-IYBDPMFKSA-N
MW457.53 g/mol
LogP4.13
Rot. Bonds4

About [2-amino-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone

[2-amino-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone (PubChem CID 25144088) has the molecular formula C26H27N5O3 and a molecular weight of 457.53 g/mol. Its IUPAC name is [2-amino-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[2-amino-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
PubChem CID25144088
Molecular FormulaC26H27N5O3
Molecular Weight457.53 g/mol
Exact Mass457.21
IUPAC Name[2-amino-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
SMILESCOc1ccccc1-c1[nH]nc2ncc(-c3ccc(N)c(C(=O)N4C[C@@H](C)O[C@@H](C)C4)c3)cc12
InChIInChI=1S/C26H27N5O3/c1-15-13-31(14-16(2)34-15)26(32)20-10-17(8-9-22(20)27)18-11-21-24(29-30-25(21)28-12-18)19-6-4-5-7-23(19)33-3/h4-12,15-16H,13-14,27H2,1-3H3,(H,28,29,30)/t15-,16+
InChIKeyAEAWXFIIJWCLEW-IYBDPMFKSA-N
XLogP4.13
TPSA106.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-Amino-5-[3-(2-methoxy-phenyl)-1h-pyrrolo[2,3-b]pyridin-5-yl]-n,n-dimethyl-benzamide
CID 16739128
3-(6-(2,4-difluorophenylamino)-1H-pyrazolo[3,4-b]pyridin-3-yl)-4-methoxy-N-(tetrahydro-2H-pyran-4-yl)benzamide
CID 44406043
3-(6-(2,4-difluorophenylamino)-1H-pyrazolo[3,4-b]pyridin-3-yl)-4-methoxy-N-morpholinobenzamide
CID 44577779
(S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-3-yloxy)-3-(1H-indol-3-yl)propan-2-amine
CID 46225572
[4-[[7-(2-Methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
CID 56951311
US10774086, Example 24
CID 139465947
N-(3-(3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)-4-methoxyphenyl)-3-(trifluoromethyl)benzamide
CID 46879459
2-[(4-Hydroxycyclohexyl)amino]-4-[4-(5-methoxy-3-pyridinyl)-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl]benzamide
CID 49871985
N-methyl-4-(quinolin-2-ylmethoxy)-N-([1,2,4]triazolo[1,5-a]pyridin-7-yl)benzamide
CID 56596178
N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-methyl-5-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]indole-3-carboxamide
CID 169551965
5-(6-amino-3-pyridinyl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-3-carboxamide
CID 154654828
7-(difluoromethyl)-5-(4-methoxyphenyl)-N-[4-(4-morpholinylcarbonyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1259789

Frequently Asked Questions

What is the IUPAC name of [2-amino-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The IUPAC name of [2-amino-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone (CID 25144088) is [2-amino-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for [2-amino-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for [2-amino-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone is COc1ccccc1-c1[nH]nc2ncc(-c3ccc(N)c(C(=O)N4C[C@@H](C)O[C@@H](C)C4)c3)cc12.
What is the InChIKey of [2-amino-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The InChIKey is AEAWXFIIJWCLEW-IYBDPMFKSA-N. The full InChI is InChI=1S/C26H27N5O3/c1-15-13-31(14-16(2)34-15)26(32)20-10-17(8-9-22(20)27)18-11-21-24(29-30-25(21)28-12-18)19-6-4-5-7-23(19)33-3/h4-12,15-16H,13-14,27H2,1-3H3,(H,28,29,30)/t15-,16+.
What are the key properties of [2-amino-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone?
[2-amino-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone has a molecular weight of 457.53 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 25144088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).