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3-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-ol

C26H29F2N7O — CID 118693649

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-ol
SMILESCc1nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCN(CCCO)C5)ncc3F)cc2n1C(C)C
InChIInChI=1S/C26H29F2N7O/c1-15(2)35-16(3)30-25-19(27)11-18(12-22(25)35)24-20(28)13-29-26(33-24)32-23-6-5-17-14-34(8-4-10-36)9-7-21(17)31-23/h5-6,11-13,15,36H,4,7-10,14H2,1-3H3,(H,29,31,32,33)
InChIKeyLYPBDMLQHIVGOJ-UHFFFAOYSA-N
MW493.56 g/mol
LogP4.54
Rot. Bonds7

About 3-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-ol

3-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-ol (PubChem CID 118693649) has the molecular formula C26H29F2N7O and a molecular weight of 493.56 g/mol. Its IUPAC name is 3-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-ol.

Molecular Properties

Compound Name3-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-ol
PubChem CID118693649
Molecular FormulaC26H29F2N7O
Molecular Weight493.56 g/mol
Exact Mass493.24
IUPAC Name3-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-ol
SMILESCc1nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCN(CCCO)C5)ncc3F)cc2n1C(C)C
InChIInChI=1S/C26H29F2N7O/c1-15(2)35-16(3)30-25-19(27)11-18(12-22(25)35)24-20(28)13-29-26(33-24)32-23-6-5-17-14-34(8-4-10-36)9-7-21(17)31-23/h5-6,11-13,15,36H,4,7-10,14H2,1-3H3,(H,29,31,32,33)
InChIKeyLYPBDMLQHIVGOJ-UHFFFAOYSA-N
XLogP4.54
TPSA91.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.56
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-ol?
The IUPAC name of 3-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-ol (CID 118693649) is 3-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-ol.
What is the SMILES notation for 3-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-ol?
The canonical SMILES for 3-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-ol is Cc1nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCN(CCCO)C5)ncc3F)cc2n1C(C)C.
What is the InChIKey of 3-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-ol?
The InChIKey is LYPBDMLQHIVGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F2N7O/c1-15(2)35-16(3)30-25-19(27)11-18(12-22(25)35)24-20(28)13-29-26(33-24)32-23-6-5-17-14-34(8-4-10-36)9-7-21(17)31-23/h5-6,11-13,15,36H,4,7-10,14H2,1-3H3,(H,29,31,32,33).
What are the key properties of 3-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-ol?
3-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-ol has a molecular weight of 493.56 g/mol, XLogP of 4.54, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-ol is sourced from PubChem (CID 118693649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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