N-[(Z)-2-[5-(2-methoxyethoxy)-3-methyl-2-pyridinyl]ethenyl]-N-[(1S)-1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]formamide

C24H27N7O3 — CID 129157653

IUPACN-[(Z)-2-[5-(2-methoxyethoxy)-3-methyl-2-pyridinyl]ethenyl]-N-[(1S)-1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]formamide
SMILESCOCCOc1cnc(/C=C\N(C=O)[C@@H](C)c2nnc3ccc(-c4cnn(C)c4)cn23)c(C)c1
InChIInChI=1S/C24H27N7O3/c1-17-11-21(34-10-9-33-4)13-25-22(17)7-8-30(16-32)18(2)24-28-27-23-6-5-19(15-31(23)24)20-12-26-29(3)14-20/h5-8,11-16,18H,9-10H2,1-4H3/b8-7-/t18-/m0/s1
InChIKeyVOSIQLSQPNYCDW-ZEVQVBBLSA-N
MW461.53 g/mol
LogP3.05
Rot. Bonds10

About N-[(Z)-2-[5-(2-methoxyethoxy)-3-methyl-2-pyridinyl]ethenyl]-N-[(1S)-1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]formamide

N-[(Z)-2-[5-(2-methoxyethoxy)-3-methyl-2-pyridinyl]ethenyl]-N-[(1S)-1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]formamide (PubChem CID 129157653) has the molecular formula C24H27N7O3 and a molecular weight of 461.53 g/mol. Its IUPAC name is N-[(Z)-2-[5-(2-methoxyethoxy)-3-methyl-2-pyridinyl]ethenyl]-N-[(1S)-1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]formamide.

Molecular Properties

Compound NameN-[(Z)-2-[5-(2-methoxyethoxy)-3-methyl-2-pyridinyl]ethenyl]-N-[(1S)-1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]formamide
PubChem CID129157653
Molecular FormulaC24H27N7O3
Molecular Weight461.53 g/mol
Exact Mass461.22
IUPAC NameN-[(Z)-2-[5-(2-methoxyethoxy)-3-methyl-2-pyridinyl]ethenyl]-N-[(1S)-1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]formamide
SMILESCOCCOc1cnc(/C=C\N(C=O)[C@@H](C)c2nnc3ccc(-c4cnn(C)c4)cn23)c(C)c1
InChIInChI=1S/C24H27N7O3/c1-17-11-21(34-10-9-33-4)13-25-22(17)7-8-30(16-32)18(2)24-28-27-23-6-5-19(15-31(23)24)20-12-26-29(3)14-20/h5-8,11-16,18H,9-10H2,1-4H3/b8-7-/t18-/m0/s1
InChIKeyVOSIQLSQPNYCDW-ZEVQVBBLSA-N
XLogP3.05
TPSA99.67 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.53
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-[5-(2-methoxyethoxy)-3-methyl-2-pyridinyl]ethenyl]-N-[(1S)-1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]formamide?
The IUPAC name of N-[(Z)-2-[5-(2-methoxyethoxy)-3-methyl-2-pyridinyl]ethenyl]-N-[(1S)-1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]formamide (CID 129157653) is N-[(Z)-2-[5-(2-methoxyethoxy)-3-methyl-2-pyridinyl]ethenyl]-N-[(1S)-1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]formamide.
What is the SMILES notation for N-[(Z)-2-[5-(2-methoxyethoxy)-3-methyl-2-pyridinyl]ethenyl]-N-[(1S)-1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]formamide?
The canonical SMILES for N-[(Z)-2-[5-(2-methoxyethoxy)-3-methyl-2-pyridinyl]ethenyl]-N-[(1S)-1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]formamide is COCCOc1cnc(/C=C\N(C=O)[C@@H](C)c2nnc3ccc(-c4cnn(C)c4)cn23)c(C)c1.
What is the InChIKey of N-[(Z)-2-[5-(2-methoxyethoxy)-3-methyl-2-pyridinyl]ethenyl]-N-[(1S)-1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]formamide?
The InChIKey is VOSIQLSQPNYCDW-ZEVQVBBLSA-N. The full InChI is InChI=1S/C24H27N7O3/c1-17-11-21(34-10-9-33-4)13-25-22(17)7-8-30(16-32)18(2)24-28-27-23-6-5-19(15-31(23)24)20-12-26-29(3)14-20/h5-8,11-16,18H,9-10H2,1-4H3/b8-7-/t18-/m0/s1.
What are the key properties of N-[(Z)-2-[5-(2-methoxyethoxy)-3-methyl-2-pyridinyl]ethenyl]-N-[(1S)-1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]formamide?
N-[(Z)-2-[5-(2-methoxyethoxy)-3-methyl-2-pyridinyl]ethenyl]-N-[(1S)-1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]formamide has a molecular weight of 461.53 g/mol, XLogP of 3.05, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-[5-(2-methoxyethoxy)-3-methyl-2-pyridinyl]ethenyl]-N-[(1S)-1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]formamide is sourced from PubChem (CID 129157653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).