N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxamide

C23H18FN7O2 — CID 90383123

IUPACN-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxamide
SMILESCOc1ccnc(-c2cnn(C)c2C(=O)Nc2cc3nc(-c4ccccc4)nn3cc2F)c1
InChIInChI=1S/C23H18FN7O2/c1-30-21(16(12-26-30)18-10-15(33-2)8-9-25-18)23(32)27-19-11-20-28-22(14-6-4-3-5-7-14)29-31(20)13-17(19)24/h3-13H,1-2H3,(H,27,32)
InChIKeyRCAZGIOWNYALGN-UHFFFAOYSA-N
MW443.44 g/mol
LogP3.59
Rot. Bonds5

About N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxamide

N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxamide (PubChem CID 90383123) has the molecular formula C23H18FN7O2 and a molecular weight of 443.44 g/mol. Its IUPAC name is N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxamide
PubChem CID90383123
Molecular FormulaC23H18FN7O2
Molecular Weight443.44 g/mol
Exact Mass443.15
IUPAC NameN-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxamide
SMILESCOc1ccnc(-c2cnn(C)c2C(=O)Nc2cc3nc(-c4ccccc4)nn3cc2F)c1
InChIInChI=1S/C23H18FN7O2/c1-30-21(16(12-26-30)18-10-15(33-2)8-9-25-18)23(32)27-19-11-20-28-22(14-6-4-3-5-7-14)29-31(20)13-17(19)24/h3-13H,1-2H3,(H,27,32)
InChIKeyRCAZGIOWNYALGN-UHFFFAOYSA-N
XLogP3.59
TPSA99.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.44
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxamide (CID 90383123) is N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxamide is COc1ccnc(-c2cnn(C)c2C(=O)Nc2cc3nc(-c4ccccc4)nn3cc2F)c1.
What is the InChIKey of N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is RCAZGIOWNYALGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN7O2/c1-30-21(16(12-26-30)18-10-15(33-2)8-9-25-18)23(32)27-19-11-20-28-22(14-6-4-3-5-7-14)29-31(20)13-17(19)24/h3-13H,1-2H3,(H,27,32).
What are the key properties of N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxamide?
N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 443.44 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 90383123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).