N-[(Z)-1-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]pyridine-4-carboxamide

C22H16FN9O — CID 131730740

IUPACN-[(Z)-1-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]pyridine-4-carboxamide
SMILESC/C(=N/NC(=O)c1ccncc1)c1cnc2nnn(Cc3cc4cccnc4cc3F)c2n1
InChIInChI=1S/C22H16FN9O/c1-13(28-30-22(33)14-4-7-24-8-5-14)19-11-26-20-21(27-19)32(31-29-20)12-16-9-15-3-2-6-25-18(15)10-17(16)23/h2-11H,12H2,1H3,(H,30,33)/b28-13-
InChIKeyGQNZUYWKSKMQKI-QDTIIGTASA-N
MW441.43 g/mol
LogP2.51
Rot. Bonds5

About N-[(Z)-1-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]pyridine-4-carboxamide

N-[(Z)-1-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]pyridine-4-carboxamide (PubChem CID 131730740) has the molecular formula C22H16FN9O and a molecular weight of 441.43 g/mol. Its IUPAC name is N-[(Z)-1-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]pyridine-4-carboxamide
PubChem CID131730740
Molecular FormulaC22H16FN9O
Molecular Weight441.43 g/mol
Exact Mass441.15
IUPAC NameN-[(Z)-1-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]pyridine-4-carboxamide
SMILESC/C(=N/NC(=O)c1ccncc1)c1cnc2nnn(Cc3cc4cccnc4cc3F)c2n1
InChIInChI=1S/C22H16FN9O/c1-13(28-30-22(33)14-4-7-24-8-5-14)19-11-26-20-21(27-19)32(31-29-20)12-16-9-15-3-2-6-25-18(15)10-17(16)23/h2-11H,12H2,1H3,(H,30,33)/b28-13-
InChIKeyGQNZUYWKSKMQKI-QDTIIGTASA-N
XLogP2.51
TPSA123.73 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-1-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]pyridine-4-carboxamide
CID 50915994
N-[(E)-1-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]pyridine-3-carboxamide
CID 71699929
1-[(Z)-1-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]imidazolidin-2-one
CID 122196921
2-[(Z)-1-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]oxy-2-methylpropan-1-ol
CID 86652016
(NE)-N-[1-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyridin-5-yl]ethylidene]hydroxylamine;hydrochloride
CID 136623818
1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethylidenehydrazine
CID 78153634
sodium;5-bromo-3-N-[(7-fluoroquinolin-6-yl)methyl]pyrazine-2,3-diamine;6-[(5-bromotriazolo[4,5-b]pyrazin-3-yl)methyl]-7-fluoroquinoline;nitrite;hydrofluoride
CID 158448570
N-[(Z)-1-quinoxalin-2-ylethylideneamino]pyridine-4-carboxamide
CID 26974464
methyl 2-[(E)-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]oxyacetate;2-[(E)-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]oxyacetamide
CID 172922384
(Z)-N-[(4-methoxyphenyl)methoxy]-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanimine
CID 86652025
(Z)-N-(oxetan-3-yloxy)-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanimine
CID 86652054
(E)-N-(oxetan-3-yloxy)-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanimine
CID 58190528

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(Z)-1-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]pyridine-4-carboxamide (CID 131730740) is N-[(Z)-1-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(Z)-1-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(Z)-1-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]pyridine-4-carboxamide is C/C(=N/NC(=O)c1ccncc1)c1cnc2nnn(Cc3cc4cccnc4cc3F)c2n1.
What is the InChIKey of N-[(Z)-1-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]pyridine-4-carboxamide?
The InChIKey is GQNZUYWKSKMQKI-QDTIIGTASA-N. The full InChI is InChI=1S/C22H16FN9O/c1-13(28-30-22(33)14-4-7-24-8-5-14)19-11-26-20-21(27-19)32(31-29-20)12-16-9-15-3-2-6-25-18(15)10-17(16)23/h2-11H,12H2,1H3,(H,30,33)/b28-13-.
What are the key properties of N-[(Z)-1-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]pyridine-4-carboxamide?
N-[(Z)-1-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]pyridine-4-carboxamide has a molecular weight of 441.43 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 131730740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).