2-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-7-(2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazol-3-yl)-1,5-naphthyridine

C22H17FN8 — CID 167367152

IUPAC2-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-7-(2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazol-3-yl)-1,5-naphthyridine
SMILESCc1nc(-c2[nH]ncc2-c2ccc3ncc(-c4[nH]nc5c4CCN5)cc3n2)ccc1F
InChIInChI=1S/C22H17FN8/c1-11-15(23)2-3-18(27-11)21-14(10-26-29-21)16-4-5-17-19(28-16)8-12(9-25-17)20-13-6-7-24-22(13)31-30-20/h2-5,8-10H,6-7H2,1H3,(H,26,29)(H2,24,30,31)
InChIKeySSFJJWZWQNBKMF-UHFFFAOYSA-N
MW412.43 g/mol
LogP3.89
Rot. Bonds3

About 2-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-7-(2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazol-3-yl)-1,5-naphthyridine

2-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-7-(2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazol-3-yl)-1,5-naphthyridine (PubChem CID 167367152) has the molecular formula C22H17FN8 and a molecular weight of 412.43 g/mol. Its IUPAC name is 2-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-7-(2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazol-3-yl)-1,5-naphthyridine.

Molecular Properties

Compound Name2-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-7-(2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazol-3-yl)-1,5-naphthyridine
PubChem CID167367152
Molecular FormulaC22H17FN8
Molecular Weight412.43 g/mol
Exact Mass412.16
IUPAC Name2-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-7-(2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazol-3-yl)-1,5-naphthyridine
SMILESCc1nc(-c2[nH]ncc2-c2ccc3ncc(-c4[nH]nc5c4CCN5)cc3n2)ccc1F
InChIInChI=1S/C22H17FN8/c1-11-15(23)2-3-18(27-11)21-14(10-26-29-21)16-4-5-17-19(28-16)8-12(9-25-17)20-13-6-7-24-22(13)31-30-20/h2-5,8-10H,6-7H2,1H3,(H,26,29)(H2,24,30,31)
InChIKeySSFJJWZWQNBKMF-UHFFFAOYSA-N
XLogP3.89
TPSA108.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.43
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-7-(2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazol-3-yl)-1,5-naphthyridine?
The IUPAC name of 2-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-7-(2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazol-3-yl)-1,5-naphthyridine (CID 167367152) is 2-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-7-(2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazol-3-yl)-1,5-naphthyridine.
What is the SMILES notation for 2-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-7-(2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazol-3-yl)-1,5-naphthyridine?
The canonical SMILES for 2-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-7-(2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazol-3-yl)-1,5-naphthyridine is Cc1nc(-c2[nH]ncc2-c2ccc3ncc(-c4[nH]nc5c4CCN5)cc3n2)ccc1F.
What is the InChIKey of 2-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-7-(2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazol-3-yl)-1,5-naphthyridine?
The InChIKey is SSFJJWZWQNBKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN8/c1-11-15(23)2-3-18(27-11)21-14(10-26-29-21)16-4-5-17-19(28-16)8-12(9-25-17)20-13-6-7-24-22(13)31-30-20/h2-5,8-10H,6-7H2,1H3,(H,26,29)(H2,24,30,31).
What are the key properties of 2-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-7-(2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazol-3-yl)-1,5-naphthyridine?
2-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-7-(2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazol-3-yl)-1,5-naphthyridine has a molecular weight of 412.43 g/mol, XLogP of 3.89, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-7-(2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazol-3-yl)-1,5-naphthyridine is sourced from PubChem (CID 167367152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).