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

C19H22F3N7O — CID 176733425

IUPAC3-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]-N-(1,1,1-trifluoropropan-2-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine
SMILESCC(Nc1nccc2[nH]nc(-c3cc(N4C[C@@H](C)O[C@@H](C)C4)ncn3)c12)C(F)(F)F
InChIInChI=1S/C19H22F3N7O/c1-10-7-29(8-11(2)30-10)15-6-14(24-9-25-15)17-16-13(27-28-17)4-5-23-18(16)26-12(3)19(20,21)22/h4-6,9-12H,7-8H2,1-3H3,(H,23,26)(H,27,28)/t10-,11+,12?
InChIKeyKMNIVDHZJWBSKC-FOSCPWQOSA-N
MW421.43 g/mol
LogP3.39
Rot. Bonds4

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

3-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]-N-(1,1,1-trifluoropropan-2-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine (PubChem CID 176733425) has the molecular formula C19H22F3N7O and a molecular weight of 421.43 g/mol. Its IUPAC name is 3-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]-N-(1,1,1-trifluoropropan-2-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine.

Molecular Properties

Compound Name3-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]-N-(1,1,1-trifluoropropan-2-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine
PubChem CID176733425
Molecular FormulaC19H22F3N7O
Molecular Weight421.43 g/mol
Exact Mass421.18
IUPAC Name3-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]-N-(1,1,1-trifluoropropan-2-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine
SMILESCC(Nc1nccc2[nH]nc(-c3cc(N4C[C@@H](C)O[C@@H](C)C4)ncn3)c12)C(F)(F)F
InChIInChI=1S/C19H22F3N7O/c1-10-7-29(8-11(2)30-10)15-6-14(24-9-25-15)17-16-13(27-28-17)4-5-23-18(16)26-12(3)19(20,21)22/h4-6,9-12H,7-8H2,1-3H3,(H,23,26)(H,27,28)/t10-,11+,12?
InChIKeyKMNIVDHZJWBSKC-FOSCPWQOSA-N
XLogP3.39
TPSA91.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.43
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

4-[4-(4-methoxy-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-pyridinyl]-2,6-dimethylmorpholine
CID 66829079
4-[3-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-5-yl]benzonitrile
CID 118652680
(2S,6R)-4-[6-[5-(1-methoxypropan-2-yloxy)-1H-indazol-3-yl]pyrimidin-4-yl]-2,6-dimethylmorpholine
CID 90400140
(2R,6S)-4-[6-[6-fluoro-5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-2,6-dimethylmorpholine
CID 90398069
(6S)-2-iodo-6-methyl-4-[6-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)pyrimidin-4-yl]morpholine
CID 144795289
2,6-dimethyl-4-[6-(trifluoromethyl)pyrimidin-4-yl]morpholine
CID 172900300
N,N-dimethyl-6-[4-(propan-2-ylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]pyrimidine-4-carboxamide
CID 71735160
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
3-[6-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-indazole
CID 78321838
3-[4-(oxolan-2-yl)-2-pyridinyl]-N-propan-2-yl-1H-pyrazolo[4,3-c]pyridin-4-amine
CID 71737543
(2R,6S)-2-ethynyl-4-[6-[5-(2-methoxyethoxy)-1H-indazol-3-yl]pyrimidin-4-yl]-6-methylmorpholine
CID 130372424
(2S,6R)-2-ethenyl-6-methyl-4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholine
CID 144694912

Frequently Asked Questions

What is the IUPAC name of 3-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]-N-(1,1,1-trifluoropropan-2-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine?
The IUPAC name of 3-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]-N-(1,1,1-trifluoropropan-2-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine (CID 176733425) is 3-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]-N-(1,1,1-trifluoropropan-2-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine.
What is the SMILES notation for 3-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]-N-(1,1,1-trifluoropropan-2-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine?
The canonical SMILES for 3-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]-N-(1,1,1-trifluoropropan-2-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine is CC(Nc1nccc2[nH]nc(-c3cc(N4C[C@@H](C)O[C@@H](C)C4)ncn3)c12)C(F)(F)F.
What is the InChIKey of 3-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]-N-(1,1,1-trifluoropropan-2-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine?
The InChIKey is KMNIVDHZJWBSKC-FOSCPWQOSA-N. The full InChI is InChI=1S/C19H22F3N7O/c1-10-7-29(8-11(2)30-10)15-6-14(24-9-25-15)17-16-13(27-28-17)4-5-23-18(16)26-12(3)19(20,21)22/h4-6,9-12H,7-8H2,1-3H3,(H,23,26)(H,27,28)/t10-,11+,12?.
What are the key properties of 3-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]-N-(1,1,1-trifluoropropan-2-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine?
3-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]-N-(1,1,1-trifluoropropan-2-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine has a molecular weight of 421.43 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]-N-(1,1,1-trifluoropropan-2-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine is sourced from PubChem (CID 176733425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).