N-[3-[7-chloro-1-methyl-2-[[1-[(3R)-oxolan-3-yl]-5-(trifluoromethyl)pyrazol-3-yl]amino]imidazo[4,5-b]pyridin-6-yl]oxypyrazolo[1,5-a]pyrazin-6-yl]-N-methylcyclopropanecarboxamide

C26H24ClF3N10O3 — CID 164558637

IUPACN-[3-[7-chloro-1-methyl-2-[[1-[(3R)-oxolan-3-yl]-5-(trifluoromethyl)pyrazol-3-yl]amino]imidazo[4,5-b]pyridin-6-yl]oxypyrazolo[1,5-a]pyrazin-6-yl]-N-methylcyclopropanecarboxamide
SMILESCN(C(=O)C1CC1)c1cn2ncc(Oc3cnc4nc(Nc5cc(C(F)(F)F)n([C@@H]6CCOC6)n5)n(C)c4c3Cl)c2cn1
InChIInChI=1S/C26H24ClF3N10O3/c1-37(24(41)13-3-4-13)20-11-39-15(8-31-20)16(10-33-39)43-17-9-32-23-22(21(17)27)38(2)25(35-23)34-19-7-18(26(28,29)30)40(36-19)14-5-6-42-12-14/h7-11,13-14H,3-6,12H2,1-2H3,(H,32,34,35,36)/t14-/m1/s1
InChIKeyFTYLBQSCWLYCDR-CQSZACIVSA-N
MW616.99 g/mol
LogP4.75
Rot. Bonds7

About N-[3-[7-chloro-1-methyl-2-[[1-[(3R)-oxolan-3-yl]-5-(trifluoromethyl)pyrazol-3-yl]amino]imidazo[4,5-b]pyridin-6-yl]oxypyrazolo[1,5-a]pyrazin-6-yl]-N-methylcyclopropanecarboxamide

N-[3-[7-chloro-1-methyl-2-[[1-[(3R)-oxolan-3-yl]-5-(trifluoromethyl)pyrazol-3-yl]amino]imidazo[4,5-b]pyridin-6-yl]oxypyrazolo[1,5-a]pyrazin-6-yl]-N-methylcyclopropanecarboxamide (PubChem CID 164558637) has the molecular formula C26H24ClF3N10O3 and a molecular weight of 616.99 g/mol. Its IUPAC name is N-[3-[7-chloro-1-methyl-2-[[1-[(3R)-oxolan-3-yl]-5-(trifluoromethyl)pyrazol-3-yl]amino]imidazo[4,5-b]pyridin-6-yl]oxypyrazolo[1,5-a]pyrazin-6-yl]-N-methylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[7-chloro-1-methyl-2-[[1-[(3R)-oxolan-3-yl]-5-(trifluoromethyl)pyrazol-3-yl]amino]imidazo[4,5-b]pyridin-6-yl]oxypyrazolo[1,5-a]pyrazin-6-yl]-N-methylcyclopropanecarboxamide
PubChem CID164558637
Molecular FormulaC26H24ClF3N10O3
Molecular Weight616.99 g/mol
Exact Mass616.17
IUPAC NameN-[3-[7-chloro-1-methyl-2-[[1-[(3R)-oxolan-3-yl]-5-(trifluoromethyl)pyrazol-3-yl]amino]imidazo[4,5-b]pyridin-6-yl]oxypyrazolo[1,5-a]pyrazin-6-yl]-N-methylcyclopropanecarboxamide
SMILESCN(C(=O)C1CC1)c1cn2ncc(Oc3cnc4nc(Nc5cc(C(F)(F)F)n([C@@H]6CCOC6)n5)n(C)c4c3Cl)c2cn1
InChIInChI=1S/C26H24ClF3N10O3/c1-37(24(41)13-3-4-13)20-11-39-15(8-31-20)16(10-33-39)43-17-9-32-23-22(21(17)27)38(2)25(35-23)34-19-7-18(26(28,29)30)40(36-19)14-5-6-42-12-14/h7-11,13-14H,3-6,12H2,1-2H3,(H,32,34,35,36)/t14-/m1/s1
InChIKeyFTYLBQSCWLYCDR-CQSZACIVSA-N
XLogP4.75
TPSA129.52 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.99
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze N-[3-[7-chloro-1-methyl-2-[[1-[(3R)-oxolan-3-yl]-5-(trifluoromethyl)pyrazol-3-yl]amino]imidazo[4,5-b]pyridin-6-yl]oxypyrazolo[1,5-a]pyrazin-6-yl]-N-methylcyclopropanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[7-chloro-1-methyl-2-[[1-[(3R)-oxolan-3-yl]-5-(trifluoromethyl)pyrazol-3-yl]amino]imidazo[4,5-b]pyridin-6-yl]oxypyrazolo[1,5-a]pyrazin-6-yl]-N-methylcyclopropanecarboxamide?
The IUPAC name of N-[3-[7-chloro-1-methyl-2-[[1-[(3R)-oxolan-3-yl]-5-(trifluoromethyl)pyrazol-3-yl]amino]imidazo[4,5-b]pyridin-6-yl]oxypyrazolo[1,5-a]pyrazin-6-yl]-N-methylcyclopropanecarboxamide (CID 164558637) is N-[3-[7-chloro-1-methyl-2-[[1-[(3R)-oxolan-3-yl]-5-(trifluoromethyl)pyrazol-3-yl]amino]imidazo[4,5-b]pyridin-6-yl]oxypyrazolo[1,5-a]pyrazin-6-yl]-N-methylcyclopropanecarboxamide.
What is the SMILES notation for N-[3-[7-chloro-1-methyl-2-[[1-[(3R)-oxolan-3-yl]-5-(trifluoromethyl)pyrazol-3-yl]amino]imidazo[4,5-b]pyridin-6-yl]oxypyrazolo[1,5-a]pyrazin-6-yl]-N-methylcyclopropanecarboxamide?
The canonical SMILES for N-[3-[7-chloro-1-methyl-2-[[1-[(3R)-oxolan-3-yl]-5-(trifluoromethyl)pyrazol-3-yl]amino]imidazo[4,5-b]pyridin-6-yl]oxypyrazolo[1,5-a]pyrazin-6-yl]-N-methylcyclopropanecarboxamide is CN(C(=O)C1CC1)c1cn2ncc(Oc3cnc4nc(Nc5cc(C(F)(F)F)n([C@@H]6CCOC6)n5)n(C)c4c3Cl)c2cn1.
What is the InChIKey of N-[3-[7-chloro-1-methyl-2-[[1-[(3R)-oxolan-3-yl]-5-(trifluoromethyl)pyrazol-3-yl]amino]imidazo[4,5-b]pyridin-6-yl]oxypyrazolo[1,5-a]pyrazin-6-yl]-N-methylcyclopropanecarboxamide?
The InChIKey is FTYLBQSCWLYCDR-CQSZACIVSA-N. The full InChI is InChI=1S/C26H24ClF3N10O3/c1-37(24(41)13-3-4-13)20-11-39-15(8-31-20)16(10-33-39)43-17-9-32-23-22(21(17)27)38(2)25(35-23)34-19-7-18(26(28,29)30)40(36-19)14-5-6-42-12-14/h7-11,13-14H,3-6,12H2,1-2H3,(H,32,34,35,36)/t14-/m1/s1.
What are the key properties of N-[3-[7-chloro-1-methyl-2-[[1-[(3R)-oxolan-3-yl]-5-(trifluoromethyl)pyrazol-3-yl]amino]imidazo[4,5-b]pyridin-6-yl]oxypyrazolo[1,5-a]pyrazin-6-yl]-N-methylcyclopropanecarboxamide?
N-[3-[7-chloro-1-methyl-2-[[1-[(3R)-oxolan-3-yl]-5-(trifluoromethyl)pyrazol-3-yl]amino]imidazo[4,5-b]pyridin-6-yl]oxypyrazolo[1,5-a]pyrazin-6-yl]-N-methylcyclopropanecarboxamide has a molecular weight of 616.99 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[7-chloro-1-methyl-2-[[1-[(3R)-oxolan-3-yl]-5-(trifluoromethyl)pyrazol-3-yl]amino]imidazo[4,5-b]pyridin-6-yl]oxypyrazolo[1,5-a]pyrazin-6-yl]-N-methylcyclopropanecarboxamide is sourced from PubChem (CID 164558637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).