N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(1-methylpyrrolo[2,3-b]pyridin-5-yl)acetamide

C20H17F2N5O — CID 118560579

IUPACN-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(1-methylpyrrolo[2,3-b]pyridin-5-yl)acetamide
SMILESCn1ccc2cc(CC(=O)Nc3ccn(Cc4ccc(F)c(F)c4)n3)cnc21
InChIInChI=1S/C20H17F2N5O/c1-26-6-4-15-8-14(11-23-20(15)26)10-19(28)24-18-5-7-27(25-18)12-13-2-3-16(21)17(22)9-13/h2-9,11H,10,12H2,1H3,(H,24,25,28)
InChIKeyQAUUDKFMRPRUCS-UHFFFAOYSA-N
MW381.39 g/mol
LogP3.28
Rot. Bonds5

About N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(1-methylpyrrolo[2,3-b]pyridin-5-yl)acetamide

N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(1-methylpyrrolo[2,3-b]pyridin-5-yl)acetamide (PubChem CID 118560579) has the molecular formula C20H17F2N5O and a molecular weight of 381.39 g/mol. Its IUPAC name is N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(1-methylpyrrolo[2,3-b]pyridin-5-yl)acetamide.

Molecular Properties

Compound NameN-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(1-methylpyrrolo[2,3-b]pyridin-5-yl)acetamide
PubChem CID118560579
Molecular FormulaC20H17F2N5O
Molecular Weight381.39 g/mol
Exact Mass381.14
IUPAC NameN-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(1-methylpyrrolo[2,3-b]pyridin-5-yl)acetamide
SMILESCn1ccc2cc(CC(=O)Nc3ccn(Cc4ccc(F)c(F)c4)n3)cnc21
InChIInChI=1S/C20H17F2N5O/c1-26-6-4-15-8-14(11-23-20(15)26)10-19(28)24-18-5-7-27(25-18)12-13-2-3-16(21)17(22)9-13/h2-9,11H,10,12H2,1H3,(H,24,25,28)
InChIKeyQAUUDKFMRPRUCS-UHFFFAOYSA-N
XLogP3.28
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(1-methylpyrrolo[2,3-b]pyridin-5-yl)acetamide?
The IUPAC name of N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(1-methylpyrrolo[2,3-b]pyridin-5-yl)acetamide (CID 118560579) is N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(1-methylpyrrolo[2,3-b]pyridin-5-yl)acetamide.
What is the SMILES notation for N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(1-methylpyrrolo[2,3-b]pyridin-5-yl)acetamide?
The canonical SMILES for N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(1-methylpyrrolo[2,3-b]pyridin-5-yl)acetamide is Cn1ccc2cc(CC(=O)Nc3ccn(Cc4ccc(F)c(F)c4)n3)cnc21.
What is the InChIKey of N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(1-methylpyrrolo[2,3-b]pyridin-5-yl)acetamide?
The InChIKey is QAUUDKFMRPRUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N5O/c1-26-6-4-15-8-14(11-23-20(15)26)10-19(28)24-18-5-7-27(25-18)12-13-2-3-16(21)17(22)9-13/h2-9,11H,10,12H2,1H3,(H,24,25,28).
What are the key properties of N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(1-methylpyrrolo[2,3-b]pyridin-5-yl)acetamide?
N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(1-methylpyrrolo[2,3-b]pyridin-5-yl)acetamide has a molecular weight of 381.39 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(1-methylpyrrolo[2,3-b]pyridin-5-yl)acetamide is sourced from PubChem (CID 118560579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).