N-[(3,5-difluorophenyl)methyl]-6-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide

C28H27F2N5O2 — CID 44609878

IUPACN-[(3,5-difluorophenyl)methyl]-6-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCC1CN=C(c2ccc3c(C(=O)NCc4cc(F)cc(F)c4)c(C(C)C)n(Cc4ccccn4)c3n2)O1
InChIInChI=1S/C28H27F2N5O2/c1-16(2)25-24(27(36)32-14-18-10-19(29)12-20(30)11-18)22-7-8-23(28-33-13-17(3)37-28)34-26(22)35(25)15-21-6-4-5-9-31-21/h4-12,16-17H,13-15H2,1-3H3,(H,32,36)
InChIKeyKNTPZCZFRWJKSX-UHFFFAOYSA-N
MW503.55 g/mol
LogP4.98
Rot. Bonds7

About N-[(3,5-difluorophenyl)methyl]-6-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide

N-[(3,5-difluorophenyl)methyl]-6-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 44609878) has the molecular formula C28H27F2N5O2 and a molecular weight of 503.55 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-6-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-6-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID44609878
Molecular FormulaC28H27F2N5O2
Molecular Weight503.55 g/mol
Exact Mass503.21
IUPAC NameN-[(3,5-difluorophenyl)methyl]-6-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCC1CN=C(c2ccc3c(C(=O)NCc4cc(F)cc(F)c4)c(C(C)C)n(Cc4ccccn4)c3n2)O1
InChIInChI=1S/C28H27F2N5O2/c1-16(2)25-24(27(36)32-14-18-10-19(29)12-20(30)11-18)22-7-8-23(28-33-13-17(3)37-28)34-26(22)35(25)15-21-6-4-5-9-31-21/h4-12,16-17H,13-15H2,1-3H3,(H,32,36)
InChIKeyKNTPZCZFRWJKSX-UHFFFAOYSA-N
XLogP4.98
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.55
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-6-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-6-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide (CID 44609878) is N-[(3,5-difluorophenyl)methyl]-6-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-6-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-6-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide is CC1CN=C(c2ccc3c(C(=O)NCc4cc(F)cc(F)c4)c(C(C)C)n(Cc4ccccn4)c3n2)O1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-6-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is KNTPZCZFRWJKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F2N5O2/c1-16(2)25-24(27(36)32-14-18-10-19(29)12-20(30)11-18)22-7-8-23(28-33-13-17(3)37-28)34-26(22)35(25)15-21-6-4-5-9-31-21/h4-12,16-17H,13-15H2,1-3H3,(H,32,36).
What are the key properties of N-[(3,5-difluorophenyl)methyl]-6-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide?
N-[(3,5-difluorophenyl)methyl]-6-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 503.55 g/mol, XLogP of 4.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-6-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 44609878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).