6-cyclopropyl-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide

C23H25N7O — CID 155157592

IUPAC6-cyclopropyl-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide
SMILESC[C@H]1CCc2nnc(-c3cccc(NC(=O)c4cc5c(cn4)CCN(C4CC4)C5)n3)n21
InChIInChI=1S/C23H25N7O/c1-14-5-8-21-27-28-22(30(14)21)18-3-2-4-20(25-18)26-23(31)19-11-16-13-29(17-6-7-17)10-9-15(16)12-24-19/h2-4,11-12,14,17H,5-10,13H2,1H3,(H,25,26,31)/t14-/m0/s1
InChIKeyMCYLKBBFYJLVMF-AWEZNQCLSA-N
MW415.50 g/mol
LogP3.02
Rot. Bonds4

About 6-cyclopropyl-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide

6-cyclopropyl-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide (PubChem CID 155157592) has the molecular formula C23H25N7O and a molecular weight of 415.50 g/mol. Its IUPAC name is 6-cyclopropyl-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide
PubChem CID155157592
Molecular FormulaC23H25N7O
Molecular Weight415.50 g/mol
Exact Mass415.21
IUPAC Name6-cyclopropyl-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide
SMILESC[C@H]1CCc2nnc(-c3cccc(NC(=O)c4cc5c(cn4)CCN(C4CC4)C5)n3)n21
InChIInChI=1S/C23H25N7O/c1-14-5-8-21-27-28-22(30(14)21)18-3-2-4-20(25-18)26-23(31)19-11-16-13-29(17-6-7-17)10-9-15(16)12-24-19/h2-4,11-12,14,17H,5-10,13H2,1H3,(H,25,26,31)/t14-/m0/s1
InChIKeyMCYLKBBFYJLVMF-AWEZNQCLSA-N
XLogP3.02
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-cyclopropyl-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide (CID 155157592) is 6-cyclopropyl-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide is C[C@H]1CCc2nnc(-c3cccc(NC(=O)c4cc5c(cn4)CCN(C4CC4)C5)n3)n21.
What is the InChIKey of 6-cyclopropyl-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide?
The InChIKey is MCYLKBBFYJLVMF-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H25N7O/c1-14-5-8-21-27-28-22(30(14)21)18-3-2-4-20(25-18)26-23(31)19-11-16-13-29(17-6-7-17)10-9-15(16)12-24-19/h2-4,11-12,14,17H,5-10,13H2,1H3,(H,25,26,31)/t14-/m0/s1.
What are the key properties of 6-cyclopropyl-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide?
6-cyclopropyl-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide has a molecular weight of 415.50 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide is sourced from PubChem (CID 155157592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).