3-[4-(4-cyclopropylimidazol-1-yl)-5-methoxy-2-pyridinyl]-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine-2-carboxamide

C23H24N8O2 — CID 175797535

IUPAC3-[4-(4-cyclopropylimidazol-1-yl)-5-methoxy-2-pyridinyl]-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine-2-carboxamide
SMILESCOc1cnc(-c2ccc(-c3nncn3C(C)C)nc2C(N)=O)cc1-n1cnc(C2CC2)c1
InChIInChI=1S/C23H24N8O2/c1-13(2)31-12-27-29-23(31)16-7-6-15(21(28-16)22(24)32)17-8-19(20(33-3)9-25-17)30-10-18(26-11-30)14-4-5-14/h6-14H,4-5H2,1-3H3,(H2,24,32)
InChIKeyXSIABCUBPPLGIZ-UHFFFAOYSA-N
MW444.50 g/mol
LogP3.15
Rot. Bonds7

About 3-[4-(4-cyclopropylimidazol-1-yl)-5-methoxy-2-pyridinyl]-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine-2-carboxamide

3-[4-(4-cyclopropylimidazol-1-yl)-5-methoxy-2-pyridinyl]-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine-2-carboxamide (PubChem CID 175797535) has the molecular formula C23H24N8O2 and a molecular weight of 444.50 g/mol. Its IUPAC name is 3-[4-(4-cyclopropylimidazol-1-yl)-5-methoxy-2-pyridinyl]-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[4-(4-cyclopropylimidazol-1-yl)-5-methoxy-2-pyridinyl]-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine-2-carboxamide
PubChem CID175797535
Molecular FormulaC23H24N8O2
Molecular Weight444.50 g/mol
Exact Mass444.20
IUPAC Name3-[4-(4-cyclopropylimidazol-1-yl)-5-methoxy-2-pyridinyl]-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine-2-carboxamide
SMILESCOc1cnc(-c2ccc(-c3nncn3C(C)C)nc2C(N)=O)cc1-n1cnc(C2CC2)c1
InChIInChI=1S/C23H24N8O2/c1-13(2)31-12-27-29-23(31)16-7-6-15(21(28-16)22(24)32)17-8-19(20(33-3)9-25-17)30-10-18(26-11-30)14-4-5-14/h6-14H,4-5H2,1-3H3,(H2,24,32)
InChIKeyXSIABCUBPPLGIZ-UHFFFAOYSA-N
XLogP3.15
TPSA126.63 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-cyclopropylimidazol-1-yl)-5-methoxy-2-pyridinyl]-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine-2-carboxamide?
The IUPAC name of 3-[4-(4-cyclopropylimidazol-1-yl)-5-methoxy-2-pyridinyl]-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine-2-carboxamide (CID 175797535) is 3-[4-(4-cyclopropylimidazol-1-yl)-5-methoxy-2-pyridinyl]-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-[4-(4-cyclopropylimidazol-1-yl)-5-methoxy-2-pyridinyl]-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-[4-(4-cyclopropylimidazol-1-yl)-5-methoxy-2-pyridinyl]-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine-2-carboxamide is COc1cnc(-c2ccc(-c3nncn3C(C)C)nc2C(N)=O)cc1-n1cnc(C2CC2)c1.
What is the InChIKey of 3-[4-(4-cyclopropylimidazol-1-yl)-5-methoxy-2-pyridinyl]-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine-2-carboxamide?
The InChIKey is XSIABCUBPPLGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8O2/c1-13(2)31-12-27-29-23(31)16-7-6-15(21(28-16)22(24)32)17-8-19(20(33-3)9-25-17)30-10-18(26-11-30)14-4-5-14/h6-14H,4-5H2,1-3H3,(H2,24,32).
What are the key properties of 3-[4-(4-cyclopropylimidazol-1-yl)-5-methoxy-2-pyridinyl]-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine-2-carboxamide?
3-[4-(4-cyclopropylimidazol-1-yl)-5-methoxy-2-pyridinyl]-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine-2-carboxamide has a molecular weight of 444.50 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-cyclopropylimidazol-1-yl)-5-methoxy-2-pyridinyl]-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 175797535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).