N-[8-amino-6-(1,3,5-trimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide

C19H19F3N6O — CID 135344881

IUPACN-[8-amino-6-(1,3,5-trimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESCc1nn(C)c(C)c1-c1cc2cc(NC(=O)C3CC3C(F)(F)F)ncc2c(N)n1
InChIInChI=1S/C19H19F3N6O/c1-8-16(9(2)28(3)27-8)14-4-10-5-15(24-7-12(10)17(23)25-14)26-18(29)11-6-13(11)19(20,21)22/h4-5,7,11,13H,6H2,1-3H3,(H2,23,25)(H,24,26,29)
InChIKeyUMQQVULWTLZUKQ-UHFFFAOYSA-N
MW404.40 g/mol
LogP3.37
Rot. Bonds3

About N-[8-amino-6-(1,3,5-trimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide

N-[8-amino-6-(1,3,5-trimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide (PubChem CID 135344881) has the molecular formula C19H19F3N6O and a molecular weight of 404.40 g/mol. Its IUPAC name is N-[8-amino-6-(1,3,5-trimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[8-amino-6-(1,3,5-trimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide
PubChem CID135344881
Molecular FormulaC19H19F3N6O
Molecular Weight404.40 g/mol
Exact Mass404.16
IUPAC NameN-[8-amino-6-(1,3,5-trimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESCc1nn(C)c(C)c1-c1cc2cc(NC(=O)C3CC3C(F)(F)F)ncc2c(N)n1
InChIInChI=1S/C19H19F3N6O/c1-8-16(9(2)28(3)27-8)14-4-10-5-15(24-7-12(10)17(23)25-14)26-18(29)11-6-13(11)19(20,21)22/h4-5,7,11,13H,6H2,1-3H3,(H2,23,25)(H,24,26,29)
InChIKeyUMQQVULWTLZUKQ-UHFFFAOYSA-N
XLogP3.37
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.40
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[8-amino-6-(1,3,5-trimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[8-amino-6-(1,3,5-trimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide (CID 135344881) is N-[8-amino-6-(1,3,5-trimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[8-amino-6-(1,3,5-trimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[8-amino-6-(1,3,5-trimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide is Cc1nn(C)c(C)c1-c1cc2cc(NC(=O)C3CC3C(F)(F)F)ncc2c(N)n1.
What is the InChIKey of N-[8-amino-6-(1,3,5-trimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide?
The InChIKey is UMQQVULWTLZUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N6O/c1-8-16(9(2)28(3)27-8)14-4-10-5-15(24-7-12(10)17(23)25-14)26-18(29)11-6-13(11)19(20,21)22/h4-5,7,11,13H,6H2,1-3H3,(H2,23,25)(H,24,26,29).
What are the key properties of N-[8-amino-6-(1,3,5-trimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide?
N-[8-amino-6-(1,3,5-trimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide has a molecular weight of 404.40 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-amino-6-(1,3,5-trimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 135344881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).