4-(4-fluorophenyl)-N-[5-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-2-pyridinyl]-3,5-dioxo-2-propan-2-yl-1,2,4-triazine-6-carboxamide

C29H24FN9O4 — CID 118203890

IUPAC4-(4-fluorophenyl)-N-[5-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-2-pyridinyl]-3,5-dioxo-2-propan-2-yl-1,2,4-triazine-6-carboxamide
SMILESCC(C)n1nc(C(=O)Nc2ccc(Oc3cc(-c4cn(C)cn4)cn4nccc34)cn2)c(=O)n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C29H24FN9O4/c1-17(2)39-29(42)38(20-6-4-19(30)5-7-20)28(41)26(35-39)27(40)34-25-9-8-21(13-31-25)43-24-12-18(22-15-36(3)16-32-22)14-37-23(24)10-11-33-37/h4-17H,1-3H3,(H,31,34,40)
InChIKeyPOKBEGBJMIHLMO-UHFFFAOYSA-N
MW581.57 g/mol
LogP3.60
Rot. Bonds7

About 4-(4-fluorophenyl)-N-[5-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-2-pyridinyl]-3,5-dioxo-2-propan-2-yl-1,2,4-triazine-6-carboxamide

4-(4-fluorophenyl)-N-[5-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-2-pyridinyl]-3,5-dioxo-2-propan-2-yl-1,2,4-triazine-6-carboxamide (PubChem CID 118203890) has the molecular formula C29H24FN9O4 and a molecular weight of 581.57 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[5-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-2-pyridinyl]-3,5-dioxo-2-propan-2-yl-1,2,4-triazine-6-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[5-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-2-pyridinyl]-3,5-dioxo-2-propan-2-yl-1,2,4-triazine-6-carboxamide
PubChem CID118203890
Molecular FormulaC29H24FN9O4
Molecular Weight581.57 g/mol
Exact Mass581.19
IUPAC Name4-(4-fluorophenyl)-N-[5-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-2-pyridinyl]-3,5-dioxo-2-propan-2-yl-1,2,4-triazine-6-carboxamide
SMILESCC(C)n1nc(C(=O)Nc2ccc(Oc3cc(-c4cn(C)cn4)cn4nccc34)cn2)c(=O)n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C29H24FN9O4/c1-17(2)39-29(42)38(20-6-4-19(30)5-7-20)28(41)26(35-39)27(40)34-25-9-8-21(13-31-25)43-24-12-18(22-15-36(3)16-32-22)14-37-23(24)10-11-33-37/h4-17H,1-3H3,(H,31,34,40)
InChIKeyPOKBEGBJMIHLMO-UHFFFAOYSA-N
XLogP3.60
TPSA143.23 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.57
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 4-(4-fluorophenyl)-N-[5-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-2-pyridinyl]-3,5-dioxo-2-propan-2-yl-1,2,4-triazine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[5-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-2-pyridinyl]-3,5-dioxo-2-propan-2-yl-1,2,4-triazine-6-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[5-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-2-pyridinyl]-3,5-dioxo-2-propan-2-yl-1,2,4-triazine-6-carboxamide (CID 118203890) is 4-(4-fluorophenyl)-N-[5-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-2-pyridinyl]-3,5-dioxo-2-propan-2-yl-1,2,4-triazine-6-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[5-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-2-pyridinyl]-3,5-dioxo-2-propan-2-yl-1,2,4-triazine-6-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[5-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-2-pyridinyl]-3,5-dioxo-2-propan-2-yl-1,2,4-triazine-6-carboxamide is CC(C)n1nc(C(=O)Nc2ccc(Oc3cc(-c4cn(C)cn4)cn4nccc34)cn2)c(=O)n(-c2ccc(F)cc2)c1=O.
What is the InChIKey of 4-(4-fluorophenyl)-N-[5-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-2-pyridinyl]-3,5-dioxo-2-propan-2-yl-1,2,4-triazine-6-carboxamide?
The InChIKey is POKBEGBJMIHLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24FN9O4/c1-17(2)39-29(42)38(20-6-4-19(30)5-7-20)28(41)26(35-39)27(40)34-25-9-8-21(13-31-25)43-24-12-18(22-15-36(3)16-32-22)14-37-23(24)10-11-33-37/h4-17H,1-3H3,(H,31,34,40).
What are the key properties of 4-(4-fluorophenyl)-N-[5-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-2-pyridinyl]-3,5-dioxo-2-propan-2-yl-1,2,4-triazine-6-carboxamide?
4-(4-fluorophenyl)-N-[5-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-2-pyridinyl]-3,5-dioxo-2-propan-2-yl-1,2,4-triazine-6-carboxamide has a molecular weight of 581.57 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[5-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-2-pyridinyl]-3,5-dioxo-2-propan-2-yl-1,2,4-triazine-6-carboxamide is sourced from PubChem (CID 118203890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).