N-[(2,4-difluorophenyl)methyl]-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide

C17H16F2N4O2 — CID 46395173

IUPACN-[(2,4-difluorophenyl)methyl]-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide
SMILESCc1nn(C)c2c(=O)n(CC(=O)NCc3ccc(F)cc3F)ccc12
InChIInChI=1S/C17H16F2N4O2/c1-10-13-5-6-23(17(25)16(13)22(2)21-10)9-15(24)20-8-11-3-4-12(18)7-14(11)19/h3-7H,8-9H2,1-2H3,(H,20,24)
InChIKeyMBUFXRUJPSKMBQ-UHFFFAOYSA-N
MW346.34 g/mol
LogP1.64
Rot. Bonds4

About N-[(2,4-difluorophenyl)methyl]-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide

N-[(2,4-difluorophenyl)methyl]-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide (PubChem CID 46395173) has the molecular formula C17H16F2N4O2 and a molecular weight of 346.34 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide
PubChem CID46395173
Molecular FormulaC17H16F2N4O2
Molecular Weight346.34 g/mol
Exact Mass346.12
IUPAC NameN-[(2,4-difluorophenyl)methyl]-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide
SMILESCc1nn(C)c2c(=O)n(CC(=O)NCc3ccc(F)cc3F)ccc12
InChIInChI=1S/C17H16F2N4O2/c1-10-13-5-6-23(17(25)16(13)22(2)21-10)9-15(24)20-8-11-3-4-12(18)7-14(11)19/h3-7H,8-9H2,1-2H3,(H,20,24)
InChIKeyMBUFXRUJPSKMBQ-UHFFFAOYSA-N
XLogP1.64
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide (CID 46395173) is N-[(2,4-difluorophenyl)methyl]-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide is Cc1nn(C)c2c(=O)n(CC(=O)NCc3ccc(F)cc3F)ccc12.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide?
The InChIKey is MBUFXRUJPSKMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4O2/c1-10-13-5-6-23(17(25)16(13)22(2)21-10)9-15(24)20-8-11-3-4-12(18)7-14(11)19/h3-7H,8-9H2,1-2H3,(H,20,24).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide?
N-[(2,4-difluorophenyl)methyl]-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide has a molecular weight of 346.34 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide is sourced from PubChem (CID 46395173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).