[6-[2-[6-(cyclopropanecarbonylamino)-1-(difluoromethyl)-2,7-naphthyridin-4-yl]ethynyl]-4-morpholin-4-yl-3-pyridinyl]azanide;methanidyloxyethane;osmium

C27H27F2N6O3Os-3 — CID 177212881

IUPAC[6-[2-[6-(cyclopropanecarbonylamino)-1-(difluoromethyl)-2,7-naphthyridin-4-yl]ethynyl]-4-morpholin-4-yl-3-pyridinyl]azanide;methanidyloxyethane;osmium
SMILES[CH2-]CO[CH2-].[NH-]c1cnc(C#Cc2cnc(C(F)F)c3cnc(NC(=O)C4CC4)cc23)cc1N1CCOCC1.[Os]
InChIInChI=1S/C24H21F2N6O2.C3H6O.Os/c25-23(26)22-18-12-29-21(31-24(33)14-1-2-14)10-17(18)15(11-30-22)3-4-16-9-20(19(27)13-28-16)32-5-7-34-8-6-32;1-3-4-2;/h9-14,23,27H,1-2,5-8H2,(H,28,29,30,31,33);1-3H2;/q-1;-2;
InChIKeyCVUWJCAJHOTAKR-UHFFFAOYSA-N
MW711.78 g/mol
LogP4.86
Rot. Bonds5

About [6-[2-[6-(cyclopropanecarbonylamino)-1-(difluoromethyl)-2,7-naphthyridin-4-yl]ethynyl]-4-morpholin-4-yl-3-pyridinyl]azanide;methanidyloxyethane;osmium

[6-[2-[6-(cyclopropanecarbonylamino)-1-(difluoromethyl)-2,7-naphthyridin-4-yl]ethynyl]-4-morpholin-4-yl-3-pyridinyl]azanide;methanidyloxyethane;osmium (PubChem CID 177212881) has the molecular formula C27H27F2N6O3Os-3 and a molecular weight of 711.78 g/mol. Its IUPAC name is [6-[2-[6-(cyclopropanecarbonylamino)-1-(difluoromethyl)-2,7-naphthyridin-4-yl]ethynyl]-4-morpholin-4-yl-3-pyridinyl]azanide;methanidyloxyethane;osmium.

Molecular Properties

Compound Name[6-[2-[6-(cyclopropanecarbonylamino)-1-(difluoromethyl)-2,7-naphthyridin-4-yl]ethynyl]-4-morpholin-4-yl-3-pyridinyl]azanide;methanidyloxyethane;osmium
PubChem CID177212881
Molecular FormulaC27H27F2N6O3Os-3
Molecular Weight711.78 g/mol
Exact Mass713.17
IUPAC Name[6-[2-[6-(cyclopropanecarbonylamino)-1-(difluoromethyl)-2,7-naphthyridin-4-yl]ethynyl]-4-morpholin-4-yl-3-pyridinyl]azanide;methanidyloxyethane;osmium
SMILES[CH2-]CO[CH2-].[NH-]c1cnc(C#Cc2cnc(C(F)F)c3cnc(NC(=O)C4CC4)cc23)cc1N1CCOCC1.[Os]
InChIInChI=1S/C24H21F2N6O2.C3H6O.Os/c25-23(26)22-18-12-29-21(31-24(33)14-1-2-14)10-17(18)15(11-30-22)3-4-16-9-20(19(27)13-28-16)32-5-7-34-8-6-32;1-3-4-2;/h9-14,23,27H,1-2,5-8H2,(H,28,29,30,31,33);1-3H2;/q-1;-2;
InChIKeyCVUWJCAJHOTAKR-UHFFFAOYSA-N
XLogP4.86
TPSA113.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500711.78
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze [6-[2-[6-(cyclopropanecarbonylamino)-1-(difluoromethyl)-2,7-naphthyridin-4-yl]ethynyl]-4-morpholin-4-yl-3-pyridinyl]azanide;methanidyloxyethane;osmium with MolForge

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Related Compounds

N-[8-methyl-5-[2-[4-morpholin-4-yl-5-[[(3S)-oxolan-3-yl]amino]-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 177212829
(2S,3S)-N-[8-(difluoromethyl)-5-[2-(5-morpholin-4-yl-2-pyridinyl)ethynyl]-2,7-naphthyridin-3-yl]-5-methyl-5-azaspiro[2.4]heptane-2-carboxamide
CID 177212703
N-[5-[2-[5-(difluoromethyl)-2-pyridinyl]ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170677537
N-[5-[2-[5-(difluoromethoxy)-2-pyridinyl]ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170678144
cis-(1R,2R)-2-fluoro-N-[8-methyl-5-[2-(5-morpholin-4-yl-2-pyridinyl)ethynyl]-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide
CID 177212781
4-[6-[2-[6-chloro-1-(difluoromethyl)-2,7-naphthyridin-4-yl]ethynyl]-3-pyridinyl]morpholine;ethane
CID 177212425
N-[5-[2-[4-(fluoromethoxy)phenyl]ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170677930
N-[5-[2-(5-hydroxy-2-pyridinyl)ethynyl]-8-methyl-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 177212890
N-[5-[2-[1-(difluoromethyl)-2-methylimidazol-4-yl]ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170677987
N-[5-[2-[5-(3-fluoroazetidin-1-yl)-2-pyridinyl]ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 178121927
N-[8-(methylamino)-5-[2-[5-(1,2,4-triazol-4-ylmethyl)-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 178121846
N-[8-methyl-5-[2-[5-(methylamino)-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 177212968

Frequently Asked Questions

What is the IUPAC name of [6-[2-[6-(cyclopropanecarbonylamino)-1-(difluoromethyl)-2,7-naphthyridin-4-yl]ethynyl]-4-morpholin-4-yl-3-pyridinyl]azanide;methanidyloxyethane;osmium?
The IUPAC name of [6-[2-[6-(cyclopropanecarbonylamino)-1-(difluoromethyl)-2,7-naphthyridin-4-yl]ethynyl]-4-morpholin-4-yl-3-pyridinyl]azanide;methanidyloxyethane;osmium (CID 177212881) is [6-[2-[6-(cyclopropanecarbonylamino)-1-(difluoromethyl)-2,7-naphthyridin-4-yl]ethynyl]-4-morpholin-4-yl-3-pyridinyl]azanide;methanidyloxyethane;osmium.
What is the SMILES notation for [6-[2-[6-(cyclopropanecarbonylamino)-1-(difluoromethyl)-2,7-naphthyridin-4-yl]ethynyl]-4-morpholin-4-yl-3-pyridinyl]azanide;methanidyloxyethane;osmium?
The canonical SMILES for [6-[2-[6-(cyclopropanecarbonylamino)-1-(difluoromethyl)-2,7-naphthyridin-4-yl]ethynyl]-4-morpholin-4-yl-3-pyridinyl]azanide;methanidyloxyethane;osmium is [CH2-]CO[CH2-].[NH-]c1cnc(C#Cc2cnc(C(F)F)c3cnc(NC(=O)C4CC4)cc23)cc1N1CCOCC1.[Os].
What is the InChIKey of [6-[2-[6-(cyclopropanecarbonylamino)-1-(difluoromethyl)-2,7-naphthyridin-4-yl]ethynyl]-4-morpholin-4-yl-3-pyridinyl]azanide;methanidyloxyethane;osmium?
The InChIKey is CVUWJCAJHOTAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N6O2.C3H6O.Os/c25-23(26)22-18-12-29-21(31-24(33)14-1-2-14)10-17(18)15(11-30-22)3-4-16-9-20(19(27)13-28-16)32-5-7-34-8-6-32;1-3-4-2;/h9-14,23,27H,1-2,5-8H2,(H,28,29,30,31,33);1-3H2;/q-1;-2;.
What are the key properties of [6-[2-[6-(cyclopropanecarbonylamino)-1-(difluoromethyl)-2,7-naphthyridin-4-yl]ethynyl]-4-morpholin-4-yl-3-pyridinyl]azanide;methanidyloxyethane;osmium?
[6-[2-[6-(cyclopropanecarbonylamino)-1-(difluoromethyl)-2,7-naphthyridin-4-yl]ethynyl]-4-morpholin-4-yl-3-pyridinyl]azanide;methanidyloxyethane;osmium has a molecular weight of 711.78 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-[6-(cyclopropanecarbonylamino)-1-(difluoromethyl)-2,7-naphthyridin-4-yl]ethynyl]-4-morpholin-4-yl-3-pyridinyl]azanide;methanidyloxyethane;osmium is sourced from PubChem (CID 177212881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).