3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]-N-[(2R,6S)-2,6-dimethyloxan-4-yl]-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-amine

C31H39N7O3 — CID 169156331

IUPAC3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]-N-[(2R,6S)-2,6-dimethyloxan-4-yl]-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-amine
SMILESCOc1ccc(Cn2nc(-c3cc(N4C[C@@H](C)O[C@@H](C)C4)ncn3)c3c(NC4C[C@@H](C)O[C@@H](C)C4)nccc32)cc1
InChIInChI=1S/C31H39N7O3/c1-19-12-24(13-20(2)40-19)35-31-29-27(10-11-32-31)38(17-23-6-8-25(39-5)9-7-23)36-30(29)26-14-28(34-18-33-26)37-15-21(3)41-22(4)16-37/h6-11,14,18-22,24H,12-13,15-17H2,1-5H3,(H,32,35)/t19-,20+,21-,22+,24?
InChIKeyWVHMHRZYVVEZOL-KNVALMDKSA-N
MW557.70 g/mol
LogP4.93
Rot. Bonds7

About 3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]-N-[(2R,6S)-2,6-dimethyloxan-4-yl]-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-amine

3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]-N-[(2R,6S)-2,6-dimethyloxan-4-yl]-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-amine (PubChem CID 169156331) has the molecular formula C31H39N7O3 and a molecular weight of 557.70 g/mol. Its IUPAC name is 3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]-N-[(2R,6S)-2,6-dimethyloxan-4-yl]-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-amine.

Molecular Properties

Compound Name3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]-N-[(2R,6S)-2,6-dimethyloxan-4-yl]-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-amine
PubChem CID169156331
Molecular FormulaC31H39N7O3
Molecular Weight557.70 g/mol
Exact Mass557.31
IUPAC Name3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]-N-[(2R,6S)-2,6-dimethyloxan-4-yl]-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-amine
SMILESCOc1ccc(Cn2nc(-c3cc(N4C[C@@H](C)O[C@@H](C)C4)ncn3)c3c(NC4C[C@@H](C)O[C@@H](C)C4)nccc32)cc1
InChIInChI=1S/C31H39N7O3/c1-19-12-24(13-20(2)40-19)35-31-29-27(10-11-32-31)38(17-23-6-8-25(39-5)9-7-23)36-30(29)26-14-28(34-18-33-26)37-15-21(3)41-22(4)16-37/h6-11,14,18-22,24H,12-13,15-17H2,1-5H3,(H,32,35)/t19-,20+,21-,22+,24?
InChIKeyWVHMHRZYVVEZOL-KNVALMDKSA-N
XLogP4.93
TPSA99.45 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500557.70
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]-N-[(2R,6S)-2,6-dimethyloxan-4-yl]-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]-N-[(2R,6S)-2,6-dimethyloxan-4-yl]-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-amine?
The IUPAC name of 3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]-N-[(2R,6S)-2,6-dimethyloxan-4-yl]-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-amine (CID 169156331) is 3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]-N-[(2R,6S)-2,6-dimethyloxan-4-yl]-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-amine.
What is the SMILES notation for 3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]-N-[(2R,6S)-2,6-dimethyloxan-4-yl]-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-amine?
The canonical SMILES for 3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]-N-[(2R,6S)-2,6-dimethyloxan-4-yl]-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-amine is COc1ccc(Cn2nc(-c3cc(N4C[C@@H](C)O[C@@H](C)C4)ncn3)c3c(NC4C[C@@H](C)O[C@@H](C)C4)nccc32)cc1.
What is the InChIKey of 3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]-N-[(2R,6S)-2,6-dimethyloxan-4-yl]-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-amine?
The InChIKey is WVHMHRZYVVEZOL-KNVALMDKSA-N. The full InChI is InChI=1S/C31H39N7O3/c1-19-12-24(13-20(2)40-19)35-31-29-27(10-11-32-31)38(17-23-6-8-25(39-5)9-7-23)36-30(29)26-14-28(34-18-33-26)37-15-21(3)41-22(4)16-37/h6-11,14,18-22,24H,12-13,15-17H2,1-5H3,(H,32,35)/t19-,20+,21-,22+,24?.
What are the key properties of 3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]-N-[(2R,6S)-2,6-dimethyloxan-4-yl]-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-amine?
3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]-N-[(2R,6S)-2,6-dimethyloxan-4-yl]-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-amine has a molecular weight of 557.70 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]-N-[(2R,6S)-2,6-dimethyloxan-4-yl]-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-amine is sourced from PubChem (CID 169156331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).