5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(2S)-morpholin-2-yl]-2-pyridinyl]pyrimidin-2-amine

C24H25F2N7O — CID 118859733

IUPAC5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(2S)-morpholin-2-yl]-2-pyridinyl]pyrimidin-2-amine
SMILESCc1nc2c(F)cc(-c3nc(Nc4ccc([C@H]5CNCCO5)cn4)ncc3F)cc2n1C(C)C
InChIInChI=1S/C24H25F2N7O/c1-13(2)33-14(3)30-23-17(25)8-16(9-19(23)33)22-18(26)11-29-24(32-22)31-21-5-4-15(10-28-21)20-12-27-6-7-34-20/h4-5,8-11,13,20,27H,6-7,12H2,1-3H3,(H,28,29,31,32)/t20-/m1/s1
InChIKeyADFNOQIIWQUMIB-HXUWFJFHSA-N
MW465.51 g/mol
LogP4.46
Rot. Bonds5

About 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(2S)-morpholin-2-yl]-2-pyridinyl]pyrimidin-2-amine

5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(2S)-morpholin-2-yl]-2-pyridinyl]pyrimidin-2-amine (PubChem CID 118859733) has the molecular formula C24H25F2N7O and a molecular weight of 465.51 g/mol. Its IUPAC name is 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(2S)-morpholin-2-yl]-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(2S)-morpholin-2-yl]-2-pyridinyl]pyrimidin-2-amine
PubChem CID118859733
Molecular FormulaC24H25F2N7O
Molecular Weight465.51 g/mol
Exact Mass465.21
IUPAC Name5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(2S)-morpholin-2-yl]-2-pyridinyl]pyrimidin-2-amine
SMILESCc1nc2c(F)cc(-c3nc(Nc4ccc([C@H]5CNCCO5)cn4)ncc3F)cc2n1C(C)C
InChIInChI=1S/C24H25F2N7O/c1-13(2)33-14(3)30-23-17(25)8-16(9-19(23)33)22-18(26)11-29-24(32-22)31-21-5-4-15(10-28-21)20-12-27-6-7-34-20/h4-5,8-11,13,20,27H,6-7,12H2,1-3H3,(H,28,29,31,32)/t20-/m1/s1
InChIKeyADFNOQIIWQUMIB-HXUWFJFHSA-N
XLogP4.46
TPSA89.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.51
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(2S)-morpholin-2-yl]-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(2S)-morpholin-2-yl]-2-pyridinyl]pyrimidin-2-amine (CID 118859733) is 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(2S)-morpholin-2-yl]-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(2S)-morpholin-2-yl]-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(2S)-morpholin-2-yl]-2-pyridinyl]pyrimidin-2-amine is Cc1nc2c(F)cc(-c3nc(Nc4ccc([C@H]5CNCCO5)cn4)ncc3F)cc2n1C(C)C.
What is the InChIKey of 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(2S)-morpholin-2-yl]-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is ADFNOQIIWQUMIB-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H25F2N7O/c1-13(2)33-14(3)30-23-17(25)8-16(9-19(23)33)22-18(26)11-29-24(32-22)31-21-5-4-15(10-28-21)20-12-27-6-7-34-20/h4-5,8-11,13,20,27H,6-7,12H2,1-3H3,(H,28,29,31,32)/t20-/m1/s1.
What are the key properties of 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(2S)-morpholin-2-yl]-2-pyridinyl]pyrimidin-2-amine?
5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(2S)-morpholin-2-yl]-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 465.51 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(2S)-morpholin-2-yl]-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 118859733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).