4-[4-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide

C23H30FN7O4 — CID 121430142

IUPAC4-[4-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide
SMILESCOC[C@@H](C)Oc1nc(C(=O)N[C@H](C)CO)nc(N2CCC(c3c[nH]c4nccc(F)c34)CC2)n1
InChIInChI=1S/C23H30FN7O4/c1-13(11-32)27-21(33)20-28-22(30-23(29-20)35-14(2)12-34-3)31-8-5-15(6-9-31)16-10-26-19-18(16)17(24)4-7-25-19/h4,7,10,13-15,32H,5-6,8-9,11-12H2,1-3H3,(H,25,26)(H,27,33)/t13-,14-/m1/s1
InChIKeyDSLBFSJTFQKRKB-ZIAGYGMSSA-N
MW487.54 g/mol
LogP1.80
Rot. Bonds9

About 4-[4-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide

4-[4-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide (PubChem CID 121430142) has the molecular formula C23H30FN7O4 and a molecular weight of 487.54 g/mol. Its IUPAC name is 4-[4-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide.

Molecular Properties

Compound Name4-[4-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide
PubChem CID121430142
Molecular FormulaC23H30FN7O4
Molecular Weight487.54 g/mol
Exact Mass487.23
IUPAC Name4-[4-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide
SMILESCOC[C@@H](C)Oc1nc(C(=O)N[C@H](C)CO)nc(N2CCC(c3c[nH]c4nccc(F)c34)CC2)n1
InChIInChI=1S/C23H30FN7O4/c1-13(11-32)27-21(33)20-28-22(30-23(29-20)35-14(2)12-34-3)31-8-5-15(6-9-31)16-10-26-19-18(16)17(24)4-7-25-19/h4,7,10,13-15,32H,5-6,8-9,11-12H2,1-3H3,(H,25,26)(H,27,33)/t13-,14-/m1/s1
InChIKeyDSLBFSJTFQKRKB-ZIAGYGMSSA-N
XLogP1.80
TPSA138.38 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.54
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4-[4-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide?
The IUPAC name of 4-[4-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide (CID 121430142) is 4-[4-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide.
What is the SMILES notation for 4-[4-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide?
The canonical SMILES for 4-[4-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide is COC[C@@H](C)Oc1nc(C(=O)N[C@H](C)CO)nc(N2CCC(c3c[nH]c4nccc(F)c34)CC2)n1.
What is the InChIKey of 4-[4-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide?
The InChIKey is DSLBFSJTFQKRKB-ZIAGYGMSSA-N. The full InChI is InChI=1S/C23H30FN7O4/c1-13(11-32)27-21(33)20-28-22(30-23(29-20)35-14(2)12-34-3)31-8-5-15(6-9-31)16-10-26-19-18(16)17(24)4-7-25-19/h4,7,10,13-15,32H,5-6,8-9,11-12H2,1-3H3,(H,25,26)(H,27,33)/t13-,14-/m1/s1.
What are the key properties of 4-[4-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide?
4-[4-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide has a molecular weight of 487.54 g/mol, XLogP of 1.80, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide is sourced from PubChem (CID 121430142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).