1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methyl]pyridine-3-carboxamide

C24H17F2N5O2S — CID 59362449

IUPAC1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1nc(-c2c[nH]c3ncccc23)cs1)c1cccn(Cc2ccc(F)c(F)c2)c1=O
InChIInChI=1S/C24H17F2N5O2S/c25-18-6-5-14(9-19(18)26)12-31-8-2-4-16(24(31)33)23(32)29-11-21-30-20(13-34-21)17-10-28-22-15(17)3-1-7-27-22/h1-10,13H,11-12H2,(H,27,28)(H,29,32)
InChIKeyQXDNXOMVYVJESH-UHFFFAOYSA-N
MW477.50 g/mol
LogP4.10
Rot. Bonds6

About 1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methyl]pyridine-3-carboxamide

1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methyl]pyridine-3-carboxamide (PubChem CID 59362449) has the molecular formula C24H17F2N5O2S and a molecular weight of 477.50 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methyl]pyridine-3-carboxamide
PubChem CID59362449
Molecular FormulaC24H17F2N5O2S
Molecular Weight477.50 g/mol
Exact Mass477.11
IUPAC Name1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1nc(-c2c[nH]c3ncccc23)cs1)c1cccn(Cc2ccc(F)c(F)c2)c1=O
InChIInChI=1S/C24H17F2N5O2S/c25-18-6-5-14(9-19(18)26)12-31-8-2-4-16(24(31)33)23(32)29-11-21-30-20(13-34-21)17-10-28-22-15(17)3-1-7-27-22/h1-10,13H,11-12H2,(H,27,28)(H,29,32)
InChIKeyQXDNXOMVYVJESH-UHFFFAOYSA-N
XLogP4.10
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.50
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of 1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methyl]pyridine-3-carboxamide (CID 59362449) is 1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methyl]pyridine-3-carboxamide is O=C(NCc1nc(-c2c[nH]c3ncccc23)cs1)c1cccn(Cc2ccc(F)c(F)c2)c1=O.
What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methyl]pyridine-3-carboxamide?
The InChIKey is QXDNXOMVYVJESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F2N5O2S/c25-18-6-5-14(9-19(18)26)12-31-8-2-4-16(24(31)33)23(32)29-11-21-30-20(13-34-21)17-10-28-22-15(17)3-1-7-27-22/h1-10,13H,11-12H2,(H,27,28)(H,29,32).
What are the key properties of 1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methyl]pyridine-3-carboxamide?
1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methyl]pyridine-3-carboxamide has a molecular weight of 477.50 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 59362449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).