[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-2-pyridinyl]-piperazin-1-ylmethanone

C25H26F2N8O — CID 134342341

IUPAC[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-2-pyridinyl]-piperazin-1-ylmethanone
SMILESCc1nc2c(F)cc(-c3nc(Nc4cccc(C(=O)N5CCNCC5)n4)ncc3F)cc2n1C(C)C
InChIInChI=1S/C25H26F2N8O/c1-14(2)35-15(3)30-23-17(26)11-16(12-20(23)35)22-18(27)13-29-25(33-22)32-21-6-4-5-19(31-21)24(36)34-9-7-28-8-10-34/h4-6,11-14,28H,7-10H2,1-3H3,(H,29,31,32,33)
InChIKeyIWAYAUVWMCKIHH-UHFFFAOYSA-N
MW492.53 g/mol
LogP3.84
Rot. Bonds5

About [6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-2-pyridinyl]-piperazin-1-ylmethanone

[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-2-pyridinyl]-piperazin-1-ylmethanone (PubChem CID 134342341) has the molecular formula C25H26F2N8O and a molecular weight of 492.53 g/mol. Its IUPAC name is [6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-2-pyridinyl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-2-pyridinyl]-piperazin-1-ylmethanone
PubChem CID134342341
Molecular FormulaC25H26F2N8O
Molecular Weight492.53 g/mol
Exact Mass492.22
IUPAC Name[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-2-pyridinyl]-piperazin-1-ylmethanone
SMILESCc1nc2c(F)cc(-c3nc(Nc4cccc(C(=O)N5CCNCC5)n4)ncc3F)cc2n1C(C)C
InChIInChI=1S/C25H26F2N8O/c1-14(2)35-15(3)30-23-17(26)11-16(12-20(23)35)22-18(27)13-29-25(33-22)32-21-6-4-5-19(31-21)24(36)34-9-7-28-8-10-34/h4-6,11-14,28H,7-10H2,1-3H3,(H,29,31,32,33)
InChIKeyIWAYAUVWMCKIHH-UHFFFAOYSA-N
XLogP3.84
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.53
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-2-pyridinyl]-piperazin-1-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-2-pyridinyl]-piperazin-1-ylmethanone?
The IUPAC name of [6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-2-pyridinyl]-piperazin-1-ylmethanone (CID 134342341) is [6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-2-pyridinyl]-piperazin-1-ylmethanone.
What is the SMILES notation for [6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-2-pyridinyl]-piperazin-1-ylmethanone?
The canonical SMILES for [6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-2-pyridinyl]-piperazin-1-ylmethanone is Cc1nc2c(F)cc(-c3nc(Nc4cccc(C(=O)N5CCNCC5)n4)ncc3F)cc2n1C(C)C.
What is the InChIKey of [6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-2-pyridinyl]-piperazin-1-ylmethanone?
The InChIKey is IWAYAUVWMCKIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N8O/c1-14(2)35-15(3)30-23-17(26)11-16(12-20(23)35)22-18(27)13-29-25(33-22)32-21-6-4-5-19(31-21)24(36)34-9-7-28-8-10-34/h4-6,11-14,28H,7-10H2,1-3H3,(H,29,31,32,33).
What are the key properties of [6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-2-pyridinyl]-piperazin-1-ylmethanone?
[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-2-pyridinyl]-piperazin-1-ylmethanone has a molecular weight of 492.53 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-2-pyridinyl]-piperazin-1-ylmethanone is sourced from PubChem (CID 134342341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).