N-[2-[(3S,4R)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-2-[(1R)-1-(oxan-2-yloxy)ethyl]-1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridin-6-amine

C26H33F4N7O3 — CID 90183443

IUPACN-[2-[(3S,4R)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-2-[(1R)-1-(oxan-2-yloxy)ethyl]-1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridin-6-amine
SMILESCO[C@@H]1CCN(c2nccc(Nc3cc4c(cn3)nc([C@@H](C)OC3CCCCO3)n4[C@@H](C)C(F)(F)F)n2)C[C@@H]1F
InChIInChI=1S/C26H33F4N7O3/c1-15(40-23-6-4-5-11-39-23)24-33-18-13-32-22(12-19(18)37(24)16(2)26(28,29)30)34-21-7-9-31-25(35-21)36-10-8-20(38-3)17(27)14-36/h7,9,12-13,15-17,20,23H,4-6,8,10-11,14H2,1-3H3,(H,31,32,34,35)/t15-,16+,17+,20-,23?/m1/s1
InChIKeyYVFZWDXCEZIZPK-UDJAJDACSA-N
MW567.59 g/mol
LogP5.26
Rot. Bonds8

About N-[2-[(3S,4R)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-2-[(1R)-1-(oxan-2-yloxy)ethyl]-1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridin-6-amine

N-[2-[(3S,4R)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-2-[(1R)-1-(oxan-2-yloxy)ethyl]-1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridin-6-amine (PubChem CID 90183443) has the molecular formula C26H33F4N7O3 and a molecular weight of 567.59 g/mol. Its IUPAC name is N-[2-[(3S,4R)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-2-[(1R)-1-(oxan-2-yloxy)ethyl]-1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridin-6-amine.

Molecular Properties

Compound NameN-[2-[(3S,4R)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-2-[(1R)-1-(oxan-2-yloxy)ethyl]-1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridin-6-amine
PubChem CID90183443
Molecular FormulaC26H33F4N7O3
Molecular Weight567.59 g/mol
Exact Mass567.26
IUPAC NameN-[2-[(3S,4R)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-2-[(1R)-1-(oxan-2-yloxy)ethyl]-1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridin-6-amine
SMILESCO[C@@H]1CCN(c2nccc(Nc3cc4c(cn3)nc([C@@H](C)OC3CCCCO3)n4[C@@H](C)C(F)(F)F)n2)C[C@@H]1F
InChIInChI=1S/C26H33F4N7O3/c1-15(40-23-6-4-5-11-39-23)24-33-18-13-32-22(12-19(18)37(24)16(2)26(28,29)30)34-21-7-9-31-25(35-21)36-10-8-20(38-3)17(27)14-36/h7,9,12-13,15-17,20,23H,4-6,8,10-11,14H2,1-3H3,(H,31,32,34,35)/t15-,16+,17+,20-,23?/m1/s1
InChIKeyYVFZWDXCEZIZPK-UDJAJDACSA-N
XLogP5.26
TPSA99.45 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.59
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[2-[(3S,4R)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-2-[(1R)-1-(oxan-2-yloxy)ethyl]-1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridin-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S,4R)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-2-[(1R)-1-(oxan-2-yloxy)ethyl]-1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridin-6-amine?
The IUPAC name of N-[2-[(3S,4R)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-2-[(1R)-1-(oxan-2-yloxy)ethyl]-1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridin-6-amine (CID 90183443) is N-[2-[(3S,4R)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-2-[(1R)-1-(oxan-2-yloxy)ethyl]-1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridin-6-amine.
What is the SMILES notation for N-[2-[(3S,4R)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-2-[(1R)-1-(oxan-2-yloxy)ethyl]-1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridin-6-amine?
The canonical SMILES for N-[2-[(3S,4R)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-2-[(1R)-1-(oxan-2-yloxy)ethyl]-1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridin-6-amine is CO[C@@H]1CCN(c2nccc(Nc3cc4c(cn3)nc([C@@H](C)OC3CCCCO3)n4[C@@H](C)C(F)(F)F)n2)C[C@@H]1F.
What is the InChIKey of N-[2-[(3S,4R)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-2-[(1R)-1-(oxan-2-yloxy)ethyl]-1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridin-6-amine?
The InChIKey is YVFZWDXCEZIZPK-UDJAJDACSA-N. The full InChI is InChI=1S/C26H33F4N7O3/c1-15(40-23-6-4-5-11-39-23)24-33-18-13-32-22(12-19(18)37(24)16(2)26(28,29)30)34-21-7-9-31-25(35-21)36-10-8-20(38-3)17(27)14-36/h7,9,12-13,15-17,20,23H,4-6,8,10-11,14H2,1-3H3,(H,31,32,34,35)/t15-,16+,17+,20-,23?/m1/s1.
What are the key properties of N-[2-[(3S,4R)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-2-[(1R)-1-(oxan-2-yloxy)ethyl]-1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridin-6-amine?
N-[2-[(3S,4R)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-2-[(1R)-1-(oxan-2-yloxy)ethyl]-1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridin-6-amine has a molecular weight of 567.59 g/mol, XLogP of 5.26, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3S,4R)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-2-[(1R)-1-(oxan-2-yloxy)ethyl]-1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridin-6-amine is sourced from PubChem (CID 90183443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).