4-[5-(4-aminopiperidin-1-yl)-8-(5-fluoro-3-methyl-1,2-benzoxazol-6-yl)imidazo[1,2-c]pyrimidin-7-yl]-2-fluorobenzonitrile

C26H21F2N7O — CID 171743572

IUPAC4-[5-(4-aminopiperidin-1-yl)-8-(5-fluoro-3-methyl-1,2-benzoxazol-6-yl)imidazo[1,2-c]pyrimidin-7-yl]-2-fluorobenzonitrile
SMILESCc1noc2cc(-c3c(-c4ccc(C#N)c(F)c4)nc(N4CCC(N)CC4)n4ccnc34)c(F)cc12
InChIInChI=1S/C26H21F2N7O/c1-14-18-11-21(28)19(12-22(18)36-33-14)23-24(15-2-3-16(13-29)20(27)10-15)32-26(35-9-6-31-25(23)35)34-7-4-17(30)5-8-34/h2-3,6,9-12,17H,4-5,7-8,30H2,1H3
InChIKeyRTBISKBTOXWFJP-UHFFFAOYSA-N
MW485.50 g/mol
LogP4.59
Rot. Bonds3

About 4-[5-(4-aminopiperidin-1-yl)-8-(5-fluoro-3-methyl-1,2-benzoxazol-6-yl)imidazo[1,2-c]pyrimidin-7-yl]-2-fluorobenzonitrile

4-[5-(4-aminopiperidin-1-yl)-8-(5-fluoro-3-methyl-1,2-benzoxazol-6-yl)imidazo[1,2-c]pyrimidin-7-yl]-2-fluorobenzonitrile (PubChem CID 171743572) has the molecular formula C26H21F2N7O and a molecular weight of 485.50 g/mol. Its IUPAC name is 4-[5-(4-aminopiperidin-1-yl)-8-(5-fluoro-3-methyl-1,2-benzoxazol-6-yl)imidazo[1,2-c]pyrimidin-7-yl]-2-fluorobenzonitrile.

Molecular Properties

Compound Name4-[5-(4-aminopiperidin-1-yl)-8-(5-fluoro-3-methyl-1,2-benzoxazol-6-yl)imidazo[1,2-c]pyrimidin-7-yl]-2-fluorobenzonitrile
PubChem CID171743572
Molecular FormulaC26H21F2N7O
Molecular Weight485.50 g/mol
Exact Mass485.18
IUPAC Name4-[5-(4-aminopiperidin-1-yl)-8-(5-fluoro-3-methyl-1,2-benzoxazol-6-yl)imidazo[1,2-c]pyrimidin-7-yl]-2-fluorobenzonitrile
SMILESCc1noc2cc(-c3c(-c4ccc(C#N)c(F)c4)nc(N4CCC(N)CC4)n4ccnc34)c(F)cc12
InChIInChI=1S/C26H21F2N7O/c1-14-18-11-21(28)19(12-22(18)36-33-14)23-24(15-2-3-16(13-29)20(27)10-15)32-26(35-9-6-31-25(23)35)34-7-4-17(30)5-8-34/h2-3,6,9-12,17H,4-5,7-8,30H2,1H3
InChIKeyRTBISKBTOXWFJP-UHFFFAOYSA-N
XLogP4.59
TPSA109.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.50
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[5-(4-aminopiperidin-1-yl)-8-(5-fluoro-3-methyl-1,2-benzoxazol-6-yl)imidazo[1,2-c]pyrimidin-7-yl]-2-fluorobenzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-aminopiperidin-1-yl)-8-(5-fluoro-3-methyl-1,2-benzoxazol-6-yl)imidazo[1,2-c]pyrimidin-7-yl]-2-fluorobenzonitrile?
The IUPAC name of 4-[5-(4-aminopiperidin-1-yl)-8-(5-fluoro-3-methyl-1,2-benzoxazol-6-yl)imidazo[1,2-c]pyrimidin-7-yl]-2-fluorobenzonitrile (CID 171743572) is 4-[5-(4-aminopiperidin-1-yl)-8-(5-fluoro-3-methyl-1,2-benzoxazol-6-yl)imidazo[1,2-c]pyrimidin-7-yl]-2-fluorobenzonitrile.
What is the SMILES notation for 4-[5-(4-aminopiperidin-1-yl)-8-(5-fluoro-3-methyl-1,2-benzoxazol-6-yl)imidazo[1,2-c]pyrimidin-7-yl]-2-fluorobenzonitrile?
The canonical SMILES for 4-[5-(4-aminopiperidin-1-yl)-8-(5-fluoro-3-methyl-1,2-benzoxazol-6-yl)imidazo[1,2-c]pyrimidin-7-yl]-2-fluorobenzonitrile is Cc1noc2cc(-c3c(-c4ccc(C#N)c(F)c4)nc(N4CCC(N)CC4)n4ccnc34)c(F)cc12.
What is the InChIKey of 4-[5-(4-aminopiperidin-1-yl)-8-(5-fluoro-3-methyl-1,2-benzoxazol-6-yl)imidazo[1,2-c]pyrimidin-7-yl]-2-fluorobenzonitrile?
The InChIKey is RTBISKBTOXWFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F2N7O/c1-14-18-11-21(28)19(12-22(18)36-33-14)23-24(15-2-3-16(13-29)20(27)10-15)32-26(35-9-6-31-25(23)35)34-7-4-17(30)5-8-34/h2-3,6,9-12,17H,4-5,7-8,30H2,1H3.
What are the key properties of 4-[5-(4-aminopiperidin-1-yl)-8-(5-fluoro-3-methyl-1,2-benzoxazol-6-yl)imidazo[1,2-c]pyrimidin-7-yl]-2-fluorobenzonitrile?
4-[5-(4-aminopiperidin-1-yl)-8-(5-fluoro-3-methyl-1,2-benzoxazol-6-yl)imidazo[1,2-c]pyrimidin-7-yl]-2-fluorobenzonitrile has a molecular weight of 485.50 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-aminopiperidin-1-yl)-8-(5-fluoro-3-methyl-1,2-benzoxazol-6-yl)imidazo[1,2-c]pyrimidin-7-yl]-2-fluorobenzonitrile is sourced from PubChem (CID 171743572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).