N-[4-[[(4R)-8-fluoro-2,4,5-trimethyl-4H-triazolo[4,5-c]quinolin-6-yl]amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide

C24H26FN7O2 — CID 175973916

IUPACN-[4-[[(4R)-8-fluoro-2,4,5-trimethyl-4H-triazolo[4,5-c]quinolin-6-yl]amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide
SMILES[2H]C([2H])([2H])CC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cc(F)cc2c1N(C)[C@H](C)c1nn(C)nc1-2
InChIInChI=1S/C24H26FN7O2/c1-5-19(33)16-11-26-20(28-24(34)13-6-7-13)10-17(16)27-18-9-14(25)8-15-22-21(29-32(4)30-22)12(2)31(3)23(15)18/h8-13H,5-7H2,1-4H3,(H2,26,27,28,34)/t12-/m1/s1/i1D3
InChIKeyUKKPBCPRDDQTJO-LBBMYNEISA-N
MW466.54 g/mol
LogP4.21
Rot. Bonds7

About N-[4-[[(4R)-8-fluoro-2,4,5-trimethyl-4H-triazolo[4,5-c]quinolin-6-yl]amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide

N-[4-[[(4R)-8-fluoro-2,4,5-trimethyl-4H-triazolo[4,5-c]quinolin-6-yl]amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 175973916) has the molecular formula C24H26FN7O2 and a molecular weight of 466.54 g/mol. Its IUPAC name is N-[4-[[(4R)-8-fluoro-2,4,5-trimethyl-4H-triazolo[4,5-c]quinolin-6-yl]amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[[(4R)-8-fluoro-2,4,5-trimethyl-4H-triazolo[4,5-c]quinolin-6-yl]amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide
PubChem CID175973916
Molecular FormulaC24H26FN7O2
Molecular Weight466.54 g/mol
Exact Mass466.23
IUPAC NameN-[4-[[(4R)-8-fluoro-2,4,5-trimethyl-4H-triazolo[4,5-c]quinolin-6-yl]amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide
SMILES[2H]C([2H])([2H])CC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cc(F)cc2c1N(C)[C@H](C)c1nn(C)nc1-2
InChIInChI=1S/C24H26FN7O2/c1-5-19(33)16-11-26-20(28-24(34)13-6-7-13)10-17(16)27-18-9-14(25)8-15-22-21(29-32(4)30-22)12(2)31(3)23(15)18/h8-13H,5-7H2,1-4H3,(H2,26,27,28,34)/t12-/m1/s1/i1D3
InChIKeyUKKPBCPRDDQTJO-LBBMYNEISA-N
XLogP4.21
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[4-[[(4R)-8-fluoro-2,4,5-trimethyl-4H-triazolo[4,5-c]quinolin-6-yl]amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[(4R)-8-fluoro-2,4,5-trimethyl-4H-triazolo[4,5-c]quinolin-6-yl]amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[[(4R)-8-fluoro-2,4,5-trimethyl-4H-triazolo[4,5-c]quinolin-6-yl]amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide (CID 175973916) is N-[4-[[(4R)-8-fluoro-2,4,5-trimethyl-4H-triazolo[4,5-c]quinolin-6-yl]amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[[(4R)-8-fluoro-2,4,5-trimethyl-4H-triazolo[4,5-c]quinolin-6-yl]amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[[(4R)-8-fluoro-2,4,5-trimethyl-4H-triazolo[4,5-c]quinolin-6-yl]amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide is [2H]C([2H])([2H])CC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cc(F)cc2c1N(C)[C@H](C)c1nn(C)nc1-2.
What is the InChIKey of N-[4-[[(4R)-8-fluoro-2,4,5-trimethyl-4H-triazolo[4,5-c]quinolin-6-yl]amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is UKKPBCPRDDQTJO-LBBMYNEISA-N. The full InChI is InChI=1S/C24H26FN7O2/c1-5-19(33)16-11-26-20(28-24(34)13-6-7-13)10-17(16)27-18-9-14(25)8-15-22-21(29-32(4)30-22)12(2)31(3)23(15)18/h8-13H,5-7H2,1-4H3,(H2,26,27,28,34)/t12-/m1/s1/i1D3.
What are the key properties of N-[4-[[(4R)-8-fluoro-2,4,5-trimethyl-4H-triazolo[4,5-c]quinolin-6-yl]amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide?
N-[4-[[(4R)-8-fluoro-2,4,5-trimethyl-4H-triazolo[4,5-c]quinolin-6-yl]amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 466.54 g/mol, XLogP of 4.21, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(4R)-8-fluoro-2,4,5-trimethyl-4H-triazolo[4,5-c]quinolin-6-yl]amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 175973916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).