[6-[[5-fluoro-4-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methanone

C28H32FN9O — CID 130320331

IUPAC[6-[[5-fluoro-4-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methanone
SMILESCc1nc2ncc(-c3nc(Nc4ccc(C(=O)N5CC6(CCN(C)CC6)C5)cn4)ncc3F)cc2n1C(C)C
InChIInChI=1S/C28H32FN9O/c1-17(2)38-18(3)33-25-22(38)11-20(13-31-25)24-21(29)14-32-27(35-24)34-23-6-5-19(12-30-23)26(39)37-15-28(16-37)7-9-36(4)10-8-28/h5-6,11-14,17H,7-10,15-16H2,1-4H3,(H,30,32,34,35)
InChIKeyAJUHXWVKOUYQDV-UHFFFAOYSA-N
MW529.62 g/mol
LogP4.22
Rot. Bonds5

About [6-[[5-fluoro-4-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methanone

[6-[[5-fluoro-4-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methanone (PubChem CID 130320331) has the molecular formula C28H32FN9O and a molecular weight of 529.62 g/mol. Its IUPAC name is [6-[[5-fluoro-4-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methanone.

Molecular Properties

Compound Name[6-[[5-fluoro-4-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methanone
PubChem CID130320331
Molecular FormulaC28H32FN9O
Molecular Weight529.62 g/mol
Exact Mass529.27
IUPAC Name[6-[[5-fluoro-4-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methanone
SMILESCc1nc2ncc(-c3nc(Nc4ccc(C(=O)N5CC6(CCN(C)CC6)C5)cn4)ncc3F)cc2n1C(C)C
InChIInChI=1S/C28H32FN9O/c1-17(2)38-18(3)33-25-22(38)11-20(13-31-25)24-21(29)14-32-27(35-24)34-23-6-5-19(12-30-23)26(39)37-15-28(16-37)7-9-36(4)10-8-28/h5-6,11-14,17H,7-10,15-16H2,1-4H3,(H,30,32,34,35)
InChIKeyAJUHXWVKOUYQDV-UHFFFAOYSA-N
XLogP4.22
TPSA104.96 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.62
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [6-[[5-fluoro-4-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [6-[[5-fluoro-4-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methanone?
The IUPAC name of [6-[[5-fluoro-4-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methanone (CID 130320331) is [6-[[5-fluoro-4-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methanone.
What is the SMILES notation for [6-[[5-fluoro-4-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methanone?
The canonical SMILES for [6-[[5-fluoro-4-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methanone is Cc1nc2ncc(-c3nc(Nc4ccc(C(=O)N5CC6(CCN(C)CC6)C5)cn4)ncc3F)cc2n1C(C)C.
What is the InChIKey of [6-[[5-fluoro-4-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methanone?
The InChIKey is AJUHXWVKOUYQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN9O/c1-17(2)38-18(3)33-25-22(38)11-20(13-31-25)24-21(29)14-32-27(35-24)34-23-6-5-19(12-30-23)26(39)37-15-28(16-37)7-9-36(4)10-8-28/h5-6,11-14,17H,7-10,15-16H2,1-4H3,(H,30,32,34,35).
What are the key properties of [6-[[5-fluoro-4-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methanone?
[6-[[5-fluoro-4-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methanone has a molecular weight of 529.62 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[5-fluoro-4-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methanone is sourced from PubChem (CID 130320331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).