N-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-5-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine

C20H20F3N7O — CID 170641926

IUPACN-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-5-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESCOc1nc(N[C@@H]2CCN(C)CC2(F)F)nn2ccc(-c3cc(F)c4nccn4c3)c12
InChIInChI=1S/C20H20F3N7O/c1-28-6-4-15(20(22,23)11-28)25-19-26-18(31-2)16-13(3-7-30(16)27-19)12-9-14(21)17-24-5-8-29(17)10-12/h3,5,7-10,15H,4,6,11H2,1-2H3,(H,25,27)/t15-/m1/s1
InChIKeyCXASGVNQEDEDGL-OAHLLOKOSA-N
MW431.42 g/mol
LogP2.94
Rot. Bonds4

About N-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-5-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine

N-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-5-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine (PubChem CID 170641926) has the molecular formula C20H20F3N7O and a molecular weight of 431.42 g/mol. Its IUPAC name is N-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-5-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine.

Molecular Properties

Compound NameN-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-5-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine
PubChem CID170641926
Molecular FormulaC20H20F3N7O
Molecular Weight431.42 g/mol
Exact Mass431.17
IUPAC NameN-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-5-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESCOc1nc(N[C@@H]2CCN(C)CC2(F)F)nn2ccc(-c3cc(F)c4nccn4c3)c12
InChIInChI=1S/C20H20F3N7O/c1-28-6-4-15(20(22,23)11-28)25-19-26-18(31-2)16-13(3-7-30(16)27-19)12-9-14(21)17-24-5-8-29(17)10-12/h3,5,7-10,15H,4,6,11H2,1-2H3,(H,25,27)/t15-/m1/s1
InChIKeyCXASGVNQEDEDGL-OAHLLOKOSA-N
XLogP2.94
TPSA71.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.42
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-5-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-5-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine?
The IUPAC name of N-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-5-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine (CID 170641926) is N-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-5-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine.
What is the SMILES notation for N-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-5-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine?
The canonical SMILES for N-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-5-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine is COc1nc(N[C@@H]2CCN(C)CC2(F)F)nn2ccc(-c3cc(F)c4nccn4c3)c12.
What is the InChIKey of N-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-5-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine?
The InChIKey is CXASGVNQEDEDGL-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H20F3N7O/c1-28-6-4-15(20(22,23)11-28)25-19-26-18(31-2)16-13(3-7-30(16)27-19)12-9-14(21)17-24-5-8-29(17)10-12/h3,5,7-10,15H,4,6,11H2,1-2H3,(H,25,27)/t15-/m1/s1.
What are the key properties of N-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-5-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine?
N-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-5-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine has a molecular weight of 431.42 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-5-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine is sourced from PubChem (CID 170641926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).