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

C23H26N8O2 — CID 170600341

IUPACN-[5-(3,3,3-trideuteriopropanoyl)-4-[(2,5,8-trimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl)amino]-2-pyridinyl]cyclopropanecarboxamide
SMILES[2H]C([2H])([2H])CC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1nc(C)cc2c1N(C)Cc1nn(C)nc1-2
InChIInChI=1S/C23H26N8O2/c1-5-18(32)15-10-24-19(27-23(33)13-6-7-13)9-16(15)26-22-21-14(8-12(2)25-22)20-17(11-30(21)3)28-31(4)29-20/h8-10,13H,5-7,11H2,1-4H3,(H2,24,25,26,27,33)/i1D3
InChIKeyJBHSTDICRROKDZ-FIBGUPNXSA-N
MW449.53 g/mol
LogP3.22
Rot. Bonds7

About 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

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 (PubChem CID 170600341) has the molecular formula C23H26N8O2 and a molecular weight of 449.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[5-(3,3,3-trideuteriopropanoyl)-4-[(2,5,8-trimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl)amino]-2-pyridinyl]cyclopropanecarboxamide
PubChem CID170600341
Molecular FormulaC23H26N8O2
Molecular Weight449.53 g/mol
Exact Mass449.24
IUPAC NameN-[5-(3,3,3-trideuteriopropanoyl)-4-[(2,5,8-trimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl)amino]-2-pyridinyl]cyclopropanecarboxamide
SMILES[2H]C([2H])([2H])CC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1nc(C)cc2c1N(C)Cc1nn(C)nc1-2
InChIInChI=1S/C23H26N8O2/c1-5-18(32)15-10-24-19(27-23(33)13-6-7-13)9-16(15)26-22-21-14(8-12(2)25-22)20-17(11-30(21)3)28-31(4)29-20/h8-10,13H,5-7,11H2,1-4H3,(H2,24,25,26,27,33)/i1D3
InChIKeyJBHSTDICRROKDZ-FIBGUPNXSA-N
XLogP3.22
TPSA117.93 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]C([2H])([2H])CC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1nc(C)cc2c1N(C)Cc1nn(C)nc1-2.
What is the InChIKey of 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?
The InChIKey is JBHSTDICRROKDZ-FIBGUPNXSA-N. The full InChI is InChI=1S/C23H26N8O2/c1-5-18(32)15-10-24-19(27-23(33)13-6-7-13)9-16(15)26-22-21-14(8-12(2)25-22)20-17(11-30(21)3)28-31(4)29-20/h8-10,13H,5-7,11H2,1-4H3,(H2,24,25,26,27,33)/i1D3.
What are the key properties of 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?
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 has a molecular weight of 449.53 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170600341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).