4-(1-methylpyrazol-4-yl)-7-[2,2,2-trifluoro-1-(2-methoxy-4-pyridinyl)ethyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide

C21H21F3N6O2 — CID 118911220

IUPAC4-(1-methylpyrazol-4-yl)-7-[2,2,2-trifluoro-1-(2-methoxy-4-pyridinyl)ethyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
SMILESCOc1cc(C(N2CCc3c(-c4cnn(C)c4)cc(C(N)=O)nc3C2)C(F)(F)F)ccn1
InChIInChI=1S/C21H21F3N6O2/c1-29-10-13(9-27-29)15-8-16(20(25)31)28-17-11-30(6-4-14(15)17)19(21(22,23)24)12-3-5-26-18(7-12)32-2/h3,5,7-10,19H,4,6,11H2,1-2H3,(H2,25,31)
InChIKeyMZWONZQRCSLBJT-UHFFFAOYSA-N
MW446.43 g/mol
LogP2.65
Rot. Bonds5

About 4-(1-methylpyrazol-4-yl)-7-[2,2,2-trifluoro-1-(2-methoxy-4-pyridinyl)ethyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide

4-(1-methylpyrazol-4-yl)-7-[2,2,2-trifluoro-1-(2-methoxy-4-pyridinyl)ethyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide (PubChem CID 118911220) has the molecular formula C21H21F3N6O2 and a molecular weight of 446.43 g/mol. Its IUPAC name is 4-(1-methylpyrazol-4-yl)-7-[2,2,2-trifluoro-1-(2-methoxy-4-pyridinyl)ethyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name4-(1-methylpyrazol-4-yl)-7-[2,2,2-trifluoro-1-(2-methoxy-4-pyridinyl)ethyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
PubChem CID118911220
Molecular FormulaC21H21F3N6O2
Molecular Weight446.43 g/mol
Exact Mass446.17
IUPAC Name4-(1-methylpyrazol-4-yl)-7-[2,2,2-trifluoro-1-(2-methoxy-4-pyridinyl)ethyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
SMILESCOc1cc(C(N2CCc3c(-c4cnn(C)c4)cc(C(N)=O)nc3C2)C(F)(F)F)ccn1
InChIInChI=1S/C21H21F3N6O2/c1-29-10-13(9-27-29)15-8-16(20(25)31)28-17-11-30(6-4-14(15)17)19(21(22,23)24)12-3-5-26-18(7-12)32-2/h3,5,7-10,19H,4,6,11H2,1-2H3,(H2,25,31)
InChIKeyMZWONZQRCSLBJT-UHFFFAOYSA-N
XLogP2.65
TPSA99.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.43
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(1-methylpyrazol-4-yl)-7-[2,2,2-trifluoro-1-(2-methoxy-4-pyridinyl)ethyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrazol-4-yl)-7-[2,2,2-trifluoro-1-(2-methoxy-4-pyridinyl)ethyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
The IUPAC name of 4-(1-methylpyrazol-4-yl)-7-[2,2,2-trifluoro-1-(2-methoxy-4-pyridinyl)ethyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide (CID 118911220) is 4-(1-methylpyrazol-4-yl)-7-[2,2,2-trifluoro-1-(2-methoxy-4-pyridinyl)ethyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide.
What is the SMILES notation for 4-(1-methylpyrazol-4-yl)-7-[2,2,2-trifluoro-1-(2-methoxy-4-pyridinyl)ethyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
The canonical SMILES for 4-(1-methylpyrazol-4-yl)-7-[2,2,2-trifluoro-1-(2-methoxy-4-pyridinyl)ethyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide is COc1cc(C(N2CCc3c(-c4cnn(C)c4)cc(C(N)=O)nc3C2)C(F)(F)F)ccn1.
What is the InChIKey of 4-(1-methylpyrazol-4-yl)-7-[2,2,2-trifluoro-1-(2-methoxy-4-pyridinyl)ethyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
The InChIKey is MZWONZQRCSLBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N6O2/c1-29-10-13(9-27-29)15-8-16(20(25)31)28-17-11-30(6-4-14(15)17)19(21(22,23)24)12-3-5-26-18(7-12)32-2/h3,5,7-10,19H,4,6,11H2,1-2H3,(H2,25,31).
What are the key properties of 4-(1-methylpyrazol-4-yl)-7-[2,2,2-trifluoro-1-(2-methoxy-4-pyridinyl)ethyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
4-(1-methylpyrazol-4-yl)-7-[2,2,2-trifluoro-1-(2-methoxy-4-pyridinyl)ethyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide has a molecular weight of 446.43 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrazol-4-yl)-7-[2,2,2-trifluoro-1-(2-methoxy-4-pyridinyl)ethyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide is sourced from PubChem (CID 118911220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).