N-(3-fluoro-2,4,5,8-tetramethyl-4H-pyrazolo[4,3-c][1,7]naphthyridin-6-yl)cyclopropanecarboxamide

C17H20FN5O — CID 177044539

IUPACN-(3-fluoro-2,4,5,8-tetramethyl-4H-pyrazolo[4,3-c][1,7]naphthyridin-6-yl)cyclopropanecarboxamide
SMILESCc1cc2c(c(NC(=O)C3CC3)n1)N(C)C(C)c1c-2nn(C)c1F
InChIInChI=1S/C17H20FN5O/c1-8-7-11-13-12(15(18)23(4)21-13)9(2)22(3)14(11)16(19-8)20-17(24)10-5-6-10/h7,9-10H,5-6H2,1-4H3,(H,19,20,24)
InChIKeyDEQVQNJZFPFBRG-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.79
Rot. Bonds2

About N-(3-fluoro-2,4,5,8-tetramethyl-4H-pyrazolo[4,3-c][1,7]naphthyridin-6-yl)cyclopropanecarboxamide

N-(3-fluoro-2,4,5,8-tetramethyl-4H-pyrazolo[4,3-c][1,7]naphthyridin-6-yl)cyclopropanecarboxamide (PubChem CID 177044539) has the molecular formula C17H20FN5O and a molecular weight of 329.38 g/mol. Its IUPAC name is N-(3-fluoro-2,4,5,8-tetramethyl-4H-pyrazolo[4,3-c][1,7]naphthyridin-6-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(3-fluoro-2,4,5,8-tetramethyl-4H-pyrazolo[4,3-c][1,7]naphthyridin-6-yl)cyclopropanecarboxamide
PubChem CID177044539
Molecular FormulaC17H20FN5O
Molecular Weight329.38 g/mol
Exact Mass329.17
IUPAC NameN-(3-fluoro-2,4,5,8-tetramethyl-4H-pyrazolo[4,3-c][1,7]naphthyridin-6-yl)cyclopropanecarboxamide
SMILESCc1cc2c(c(NC(=O)C3CC3)n1)N(C)C(C)c1c-2nn(C)c1F
InChIInChI=1S/C17H20FN5O/c1-8-7-11-13-12(15(18)23(4)21-13)9(2)22(3)14(11)16(19-8)20-17(24)10-5-6-10/h7,9-10H,5-6H2,1-4H3,(H,19,20,24)
InChIKeyDEQVQNJZFPFBRG-UHFFFAOYSA-N
XLogP2.79
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-2,4,5,8-tetramethyl-4H-pyrazolo[4,3-c][1,7]naphthyridin-6-yl)cyclopropanecarboxamide?
The IUPAC name of N-(3-fluoro-2,4,5,8-tetramethyl-4H-pyrazolo[4,3-c][1,7]naphthyridin-6-yl)cyclopropanecarboxamide (CID 177044539) is N-(3-fluoro-2,4,5,8-tetramethyl-4H-pyrazolo[4,3-c][1,7]naphthyridin-6-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(3-fluoro-2,4,5,8-tetramethyl-4H-pyrazolo[4,3-c][1,7]naphthyridin-6-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(3-fluoro-2,4,5,8-tetramethyl-4H-pyrazolo[4,3-c][1,7]naphthyridin-6-yl)cyclopropanecarboxamide is Cc1cc2c(c(NC(=O)C3CC3)n1)N(C)C(C)c1c-2nn(C)c1F.
What is the InChIKey of N-(3-fluoro-2,4,5,8-tetramethyl-4H-pyrazolo[4,3-c][1,7]naphthyridin-6-yl)cyclopropanecarboxamide?
The InChIKey is DEQVQNJZFPFBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O/c1-8-7-11-13-12(15(18)23(4)21-13)9(2)22(3)14(11)16(19-8)20-17(24)10-5-6-10/h7,9-10H,5-6H2,1-4H3,(H,19,20,24).
What are the key properties of N-(3-fluoro-2,4,5,8-tetramethyl-4H-pyrazolo[4,3-c][1,7]naphthyridin-6-yl)cyclopropanecarboxamide?
N-(3-fluoro-2,4,5,8-tetramethyl-4H-pyrazolo[4,3-c][1,7]naphthyridin-6-yl)cyclopropanecarboxamide has a molecular weight of 329.38 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-2,4,5,8-tetramethyl-4H-pyrazolo[4,3-c][1,7]naphthyridin-6-yl)cyclopropanecarboxamide is sourced from PubChem (CID 177044539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).