2-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-7-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazin-3-yl)-1,5-naphthyridine

C22H19N9 — CID 167366496

IUPAC2-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-7-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazin-3-yl)-1,5-naphthyridine
SMILESCc1cccc(-c2[nH]ncc2-c2ccc3ncc(-c4nnn5c4CNCC5)cc3n2)n1
InChIInChI=1S/C22H19N9/c1-13-3-2-4-18(26-13)22-15(11-25-28-22)16-5-6-17-19(27-16)9-14(10-24-17)21-20-12-23-7-8-31(20)30-29-21/h2-6,9-11,23H,7-8,12H2,1H3,(H,25,28)
InChIKeyKVFIDGUQDGXTQH-UHFFFAOYSA-N
MW409.46 g/mol
LogP2.75
Rot. Bonds3

About 2-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-7-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazin-3-yl)-1,5-naphthyridine

2-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-7-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazin-3-yl)-1,5-naphthyridine (PubChem CID 167366496) has the molecular formula C22H19N9 and a molecular weight of 409.46 g/mol. Its IUPAC name is 2-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-7-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazin-3-yl)-1,5-naphthyridine.

Molecular Properties

Compound Name2-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-7-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazin-3-yl)-1,5-naphthyridine
PubChem CID167366496
Molecular FormulaC22H19N9
Molecular Weight409.46 g/mol
Exact Mass409.18
IUPAC Name2-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-7-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazin-3-yl)-1,5-naphthyridine
SMILESCc1cccc(-c2[nH]ncc2-c2ccc3ncc(-c4nnn5c4CNCC5)cc3n2)n1
InChIInChI=1S/C22H19N9/c1-13-3-2-4-18(26-13)22-15(11-25-28-22)16-5-6-17-19(27-16)9-14(10-24-17)21-20-12-23-7-8-31(20)30-29-21/h2-6,9-11,23H,7-8,12H2,1H3,(H,25,28)
InChIKeyKVFIDGUQDGXTQH-UHFFFAOYSA-N
XLogP2.75
TPSA110.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-7-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazin-3-yl)-1,5-naphthyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-7-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazin-3-yl)-1,5-naphthyridine?
The IUPAC name of 2-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-7-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazin-3-yl)-1,5-naphthyridine (CID 167366496) is 2-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-7-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazin-3-yl)-1,5-naphthyridine.
What is the SMILES notation for 2-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-7-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazin-3-yl)-1,5-naphthyridine?
The canonical SMILES for 2-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-7-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazin-3-yl)-1,5-naphthyridine is Cc1cccc(-c2[nH]ncc2-c2ccc3ncc(-c4nnn5c4CNCC5)cc3n2)n1.
What is the InChIKey of 2-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-7-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazin-3-yl)-1,5-naphthyridine?
The InChIKey is KVFIDGUQDGXTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N9/c1-13-3-2-4-18(26-13)22-15(11-25-28-22)16-5-6-17-19(27-16)9-14(10-24-17)21-20-12-23-7-8-31(20)30-29-21/h2-6,9-11,23H,7-8,12H2,1H3,(H,25,28).
What are the key properties of 2-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-7-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazin-3-yl)-1,5-naphthyridine?
2-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-7-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazin-3-yl)-1,5-naphthyridine has a molecular weight of 409.46 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-7-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazin-3-yl)-1,5-naphthyridine is sourced from PubChem (CID 167366496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).