N-[4-[[3-(difluoromethyl)-2,5-dimethyl-4H-imidazo[4,5-c][1,7]naphthyridin-6-yl]amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide

C24H25F2N7O2 — CID 170600201

IUPACN-[4-[[3-(difluoromethyl)-2,5-dimethyl-4H-imidazo[4,5-c][1,7]naphthyridin-6-yl]amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide
SMILES[2H]C([2H])([2H])CC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1nccc2c1N(C)Cc1c-2nc(C)n1C(F)F
InChIInChI=1S/C24H25F2N7O2/c1-4-18(34)15-10-28-19(31-23(35)13-5-6-13)9-16(15)30-22-21-14(7-8-27-22)20-17(11-32(21)3)33(24(25)26)12(2)29-20/h7-10,13,24H,4-6,11H2,1-3H3,(H2,27,28,30,31,35)/i1D3
InChIKeyQCULIRCYIACSSH-FIBGUPNXSA-N
MW484.53 g/mol
LogP4.68
Rot. Bonds8

About N-[4-[[3-(difluoromethyl)-2,5-dimethyl-4H-imidazo[4,5-c][1,7]naphthyridin-6-yl]amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide

N-[4-[[3-(difluoromethyl)-2,5-dimethyl-4H-imidazo[4,5-c][1,7]naphthyridin-6-yl]amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 170600201) has the molecular formula C24H25F2N7O2 and a molecular weight of 484.53 g/mol. Its IUPAC name is N-[4-[[3-(difluoromethyl)-2,5-dimethyl-4H-imidazo[4,5-c][1,7]naphthyridin-6-yl]amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[[3-(difluoromethyl)-2,5-dimethyl-4H-imidazo[4,5-c][1,7]naphthyridin-6-yl]amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide
PubChem CID170600201
Molecular FormulaC24H25F2N7O2
Molecular Weight484.53 g/mol
Exact Mass484.22
IUPAC NameN-[4-[[3-(difluoromethyl)-2,5-dimethyl-4H-imidazo[4,5-c][1,7]naphthyridin-6-yl]amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide
SMILES[2H]C([2H])([2H])CC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1nccc2c1N(C)Cc1c-2nc(C)n1C(F)F
InChIInChI=1S/C24H25F2N7O2/c1-4-18(34)15-10-28-19(31-23(35)13-5-6-13)9-16(15)30-22-21-14(7-8-27-22)20-17(11-32(21)3)33(24(25)26)12(2)29-20/h7-10,13,24H,4-6,11H2,1-3H3,(H2,27,28,30,31,35)/i1D3
InChIKeyQCULIRCYIACSSH-FIBGUPNXSA-N
XLogP4.68
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.53
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[4-[[3-(difluoromethyl)-2,5-dimethyl-4H-imidazo[4,5-c][1,7]naphthyridin-6-yl]amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide with MolForge

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Related Compounds

N-[5-(3,3,3-trideuteriopropanoyl)-4-[(2,5,8-trimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl)amino]-2-pyridinyl]cyclopropanecarboxamide
CID 170600341
N-[4-[[(4R)-2,3,4,5-tetramethyl-4H-imidazo[4,5-c]quinolin-6-yl]amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide
CID 175973840
N-[4-[[(4S)-2,4-dimethyl-5-(trideuteriomethyl)-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]amino]-5-propanoyl-2-pyridinyl]cyclopropanecarboxamide
CID 171663354
N-[5-(3,3,3-trideuteriopropanoyl)-4-[[(5R)-5,6,9-trimethyl-5H-pyrazino[2,3-c][1,7]naphthyridin-7-yl]amino]-2-pyridinyl]cyclopropanecarboxamide
CID 177044527
N-[5-propanoyl-4-[[(4S)-2,4,5-trimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]amino]-2-pyridinyl]cyclopropanecarboxamide
CID 170600238
N-[5-(3,3,3-trideuteriopropanoyl)-4-[[(5R)-5,6,10-trimethyl-5H-pyrido[3,2-c][1,7]naphthyridin-7-yl]amino]-2-pyridinyl]cyclopropanecarboxamide
CID 177044553
N-[4-[(5,5-dideuterio-6-methylbenzo[h][1,6]naphthyridin-7-yl)amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide
CID 170600162
N-[4-[[(4R)-2,3,4,5,8-pentamethyl-4H-pyrazolo[4,3-c][1,7]naphthyridin-6-yl]amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide
CID 177044532
N-[5-(3,3,3-trideuteriopropanoyl)-4-[(2',5',8'-trimethylspiro[oxetane-3,4'-triazolo[4,5-c][1,7]naphthyridine]-6'-yl)amino]-2-pyridinyl]cyclopropanecarboxamide
CID 177044555
N-[4-[(4,4-dideuterio-2,5-dimethyltriazolo[4,5-c]quinolin-6-yl)amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide
CID 170600229
N-[4-[[(4R)-2,4,5,9-tetramethyl-4H-pyrazolo[4,3-c][1,7]naphthyridin-6-yl]amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide
CID 177044780
N-[4-[[(4R)-8-fluoro-2,4,5-trimethyl-4H-[1,3]thiazolo[5,4-c]quinolin-6-yl]amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide
CID 175973848

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(difluoromethyl)-2,5-dimethyl-4H-imidazo[4,5-c][1,7]naphthyridin-6-yl]amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[[3-(difluoromethyl)-2,5-dimethyl-4H-imidazo[4,5-c][1,7]naphthyridin-6-yl]amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide (CID 170600201) is N-[4-[[3-(difluoromethyl)-2,5-dimethyl-4H-imidazo[4,5-c][1,7]naphthyridin-6-yl]amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[[3-(difluoromethyl)-2,5-dimethyl-4H-imidazo[4,5-c][1,7]naphthyridin-6-yl]amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[[3-(difluoromethyl)-2,5-dimethyl-4H-imidazo[4,5-c][1,7]naphthyridin-6-yl]amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide is [2H]C([2H])([2H])CC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1nccc2c1N(C)Cc1c-2nc(C)n1C(F)F.
What is the InChIKey of N-[4-[[3-(difluoromethyl)-2,5-dimethyl-4H-imidazo[4,5-c][1,7]naphthyridin-6-yl]amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is QCULIRCYIACSSH-FIBGUPNXSA-N. The full InChI is InChI=1S/C24H25F2N7O2/c1-4-18(34)15-10-28-19(31-23(35)13-5-6-13)9-16(15)30-22-21-14(7-8-27-22)20-17(11-32(21)3)33(24(25)26)12(2)29-20/h7-10,13,24H,4-6,11H2,1-3H3,(H2,27,28,30,31,35)/i1D3.
What are the key properties of N-[4-[[3-(difluoromethyl)-2,5-dimethyl-4H-imidazo[4,5-c][1,7]naphthyridin-6-yl]amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide?
N-[4-[[3-(difluoromethyl)-2,5-dimethyl-4H-imidazo[4,5-c][1,7]naphthyridin-6-yl]amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 484.53 g/mol, XLogP of 4.68, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(difluoromethyl)-2,5-dimethyl-4H-imidazo[4,5-c][1,7]naphthyridin-6-yl]amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 170600201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).