5-benzyl-3-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-6-propan-2-ylpyrrolo[1,2-c]pyrimidine-7-carboxamide;1-benzyl-7-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-ylindolizine-3-carboxamide;1-benzyl-7-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-ylindolizine-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-ylindolizine-3-carboxamide

C118H120F8N10O8 — CID 158397286

IUPAC5-benzyl-3-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-6-propan-2-ylpyrrolo[1,2-c]pyrimidine-7-carboxamide;1-benzyl-7-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-ylindolizine-3-carboxamide;1-benzyl-7-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-ylindolizine-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-ylindolizine-3-carboxamide
SMILESCC(C)c1c(Cc2ccccc2)c2cc(NC3CCCC3)ncn2c1C(=O)NCc1ccc(F)c(F)c1.CC(C)c1c(Cc2ccccc2)c2cc(OC3CCCC3)c(O)cn2c1C(=O)NCc1ccc(F)c(F)c1.CC(C)c1c(Cc2ccccc2)c2cc(OC3CCCC3)ccn2c1C(=O)NCc1ccc(F)c(F)c1.CC(C)c1c(Cc2ccccc2)c2ccc(O)cn2c1C(=O)NCc1ccc(F)c(F)c1
InChIInChI=1S/C31H32F2N2O3.C31H32F2N2O2.C30H32F2N4O.C26H24F2N2O2/c1-19(2)29-23(14-20-8-4-3-5-9-20)26-16-28(38-22-10-6-7-11-22)27(36)18-35(26)30(29)31(37)34-17-21-12-13-24(32)25(33)15-21;1-20(2)29-25(16-21-8-4-3-5-9-21)28-18-24(37-23-10-6-7-11-23)14-15-35(28)30(29)31(36)34-19-22-12-13-26(32)27(33)17-22;1-19(2)28-23(14-20-8-4-3-5-9-20)26-16-27(35-22-10-6-7-11-22)34-18-36(26)29(28)30(37)33-17-21-12-13-24(31)25(32)15-21;1-16(2)24-20(12-17-6-4-3-5-7-17)23-11-9-19(31)15-30(23)25(24)26(32)29-14-18-8-10-21(27)22(28)13-18/h3-5,8-9,12-13,15-16,18-19,22,36H,6-7,10-11,14,17H2,1-2H3,(H,34,37);3-5,8-9,12-15,17-18,20,23H,6-7,10-11,16,19H2,1-2H3,(H,34,36);3-5,8-9,12-13,15-16,18-19,22,35H,6-7,10-11,14,17H2,1-2H3,(H,33,37);3-11,13,15-16,31H,12,14H2,1-2H3,(H,29,32)
InChIKeyGXQXOHWBCZTEDN-UHFFFAOYSA-N
MW1958.30 g/mol
LogP26.25
Rot. Bonds30

About 5-benzyl-3-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-6-propan-2-ylpyrrolo[1,2-c]pyrimidine-7-carboxamide;1-benzyl-7-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-ylindolizine-3-carboxamide;1-benzyl-7-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-ylindolizine-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-ylindolizine-3-carboxamide

5-benzyl-3-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-6-propan-2-ylpyrrolo[1,2-c]pyrimidine-7-carboxamide;1-benzyl-7-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-ylindolizine-3-carboxamide;1-benzyl-7-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-ylindolizine-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-ylindolizine-3-carboxamide (PubChem CID 158397286) has the molecular formula C118H120F8N10O8 and a molecular weight of 1958.30 g/mol. Its IUPAC name is 5-benzyl-3-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-6-propan-2-ylpyrrolo[1,2-c]pyrimidine-7-carboxamide;1-benzyl-7-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-ylindolizine-3-carboxamide;1-benzyl-7-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-ylindolizine-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-ylindolizine-3-carboxamide.

Molecular Properties

Compound Name5-benzyl-3-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-6-propan-2-ylpyrrolo[1,2-c]pyrimidine-7-carboxamide;1-benzyl-7-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-ylindolizine-3-carboxamide;1-benzyl-7-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-ylindolizine-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-ylindolizine-3-carboxamide
PubChem CID158397286
Molecular FormulaC118H120F8N10O8
Molecular Weight1958.30 g/mol
Exact Mass1956.92
IUPAC Name5-benzyl-3-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-6-propan-2-ylpyrrolo[1,2-c]pyrimidine-7-carboxamide;1-benzyl-7-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-ylindolizine-3-carboxamide;1-benzyl-7-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-ylindolizine-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-ylindolizine-3-carboxamide
SMILESCC(C)c1c(Cc2ccccc2)c2cc(NC3CCCC3)ncn2c1C(=O)NCc1ccc(F)c(F)c1.CC(C)c1c(Cc2ccccc2)c2cc(OC3CCCC3)c(O)cn2c1C(=O)NCc1ccc(F)c(F)c1.CC(C)c1c(Cc2ccccc2)c2cc(OC3CCCC3)ccn2c1C(=O)NCc1ccc(F)c(F)c1.CC(C)c1c(Cc2ccccc2)c2ccc(O)cn2c1C(=O)NCc1ccc(F)c(F)c1
InChIInChI=1S/C31H32F2N2O3.C31H32F2N2O2.C30H32F2N4O.C26H24F2N2O2/c1-19(2)29-23(14-20-8-4-3-5-9-20)26-16-28(38-22-10-6-7-11-22)27(36)18-35(26)30(29)31(37)34-17-21-12-13-24(32)25(33)15-21;1-20(2)29-25(16-21-8-4-3-5-9-21)28-18-24(37-23-10-6-7-11-23)14-15-35(28)30(29)31(36)34-19-22-12-13-26(32)27(33)17-22;1-19(2)28-23(14-20-8-4-3-5-9-20)26-16-27(35-22-10-6-7-11-22)34-18-36(26)29(28)30(37)33-17-21-12-13-24(31)25(32)15-21;1-16(2)24-20(12-17-6-4-3-5-7-17)23-11-9-19(31)15-30(23)25(24)26(32)29-14-18-8-10-21(27)22(28)13-18/h3-5,8-9,12-13,15-16,18-19,22,36H,6-7,10-11,14,17H2,1-2H3,(H,34,37);3-5,8-9,12-15,17-18,20,23H,6-7,10-11,16,19H2,1-2H3,(H,34,36);3-5,8-9,12-13,15-16,18-19,22,35H,6-7,10-11,14,17H2,1-2H3,(H,33,37);3-11,13,15-16,31H,12,14H2,1-2H3,(H,29,32)
InChIKeyGXQXOHWBCZTEDN-UHFFFAOYSA-N
XLogP26.25
TPSA217.88 Ų
H-Bond Donors7
H-Bond Acceptors14
Rotatable Bonds30
Heavy Atoms144
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001958.30
LogP ≤ 526.25
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1014

Analyze 5-benzyl-3-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-6-propan-2-ylpyrrolo[1,2-c]pyrimidine-7-carboxamide;1-benzyl-7-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-ylindolizine-3-carboxamide;1-benzyl-7-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-ylindolizine-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-ylindolizine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-6-propan-2-ylpyrrolo[1,2-c]pyrimidine-7-carboxamide;1-benzyl-7-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-ylindolizine-3-carboxamide;1-benzyl-7-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-ylindolizine-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-ylindolizine-3-carboxamide?
The IUPAC name of 5-benzyl-3-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-6-propan-2-ylpyrrolo[1,2-c]pyrimidine-7-carboxamide;1-benzyl-7-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-ylindolizine-3-carboxamide;1-benzyl-7-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-ylindolizine-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-ylindolizine-3-carboxamide (CID 158397286) is 5-benzyl-3-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-6-propan-2-ylpyrrolo[1,2-c]pyrimidine-7-carboxamide;1-benzyl-7-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-ylindolizine-3-carboxamide;1-benzyl-7-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-ylindolizine-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-ylindolizine-3-carboxamide.
What is the SMILES notation for 5-benzyl-3-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-6-propan-2-ylpyrrolo[1,2-c]pyrimidine-7-carboxamide;1-benzyl-7-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-ylindolizine-3-carboxamide;1-benzyl-7-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-ylindolizine-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-ylindolizine-3-carboxamide?
The canonical SMILES for 5-benzyl-3-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-6-propan-2-ylpyrrolo[1,2-c]pyrimidine-7-carboxamide;1-benzyl-7-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-ylindolizine-3-carboxamide;1-benzyl-7-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-ylindolizine-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-ylindolizine-3-carboxamide is CC(C)c1c(Cc2ccccc2)c2cc(NC3CCCC3)ncn2c1C(=O)NCc1ccc(F)c(F)c1.CC(C)c1c(Cc2ccccc2)c2cc(OC3CCCC3)c(O)cn2c1C(=O)NCc1ccc(F)c(F)c1.CC(C)c1c(Cc2ccccc2)c2cc(OC3CCCC3)ccn2c1C(=O)NCc1ccc(F)c(F)c1.CC(C)c1c(Cc2ccccc2)c2ccc(O)cn2c1C(=O)NCc1ccc(F)c(F)c1.
What is the InChIKey of 5-benzyl-3-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-6-propan-2-ylpyrrolo[1,2-c]pyrimidine-7-carboxamide;1-benzyl-7-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-ylindolizine-3-carboxamide;1-benzyl-7-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-ylindolizine-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-ylindolizine-3-carboxamide?
The InChIKey is GXQXOHWBCZTEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32F2N2O3.C31H32F2N2O2.C30H32F2N4O.C26H24F2N2O2/c1-19(2)29-23(14-20-8-4-3-5-9-20)26-16-28(38-22-10-6-7-11-22)27(36)18-35(26)30(29)31(37)34-17-21-12-13-24(32)25(33)15-21;1-20(2)29-25(16-21-8-4-3-5-9-21)28-18-24(37-23-10-6-7-11-23)14-15-35(28)30(29)31(36)34-19-22-12-13-26(32)27(33)17-22;1-19(2)28-23(14-20-8-4-3-5-9-20)26-16-27(35-22-10-6-7-11-22)34-18-36(26)29(28)30(37)33-17-21-12-13-24(31)25(32)15-21;1-16(2)24-20(12-17-6-4-3-5-7-17)23-11-9-19(31)15-30(23)25(24)26(32)29-14-18-8-10-21(27)22(28)13-18/h3-5,8-9,12-13,15-16,18-19,22,36H,6-7,10-11,14,17H2,1-2H3,(H,34,37);3-5,8-9,12-15,17-18,20,23H,6-7,10-11,16,19H2,1-2H3,(H,34,36);3-5,8-9,12-13,15-16,18-19,22,35H,6-7,10-11,14,17H2,1-2H3,(H,33,37);3-11,13,15-16,31H,12,14H2,1-2H3,(H,29,32).
What are the key properties of 5-benzyl-3-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-6-propan-2-ylpyrrolo[1,2-c]pyrimidine-7-carboxamide;1-benzyl-7-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-ylindolizine-3-carboxamide;1-benzyl-7-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-ylindolizine-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-ylindolizine-3-carboxamide?
5-benzyl-3-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-6-propan-2-ylpyrrolo[1,2-c]pyrimidine-7-carboxamide;1-benzyl-7-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-ylindolizine-3-carboxamide;1-benzyl-7-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-ylindolizine-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-ylindolizine-3-carboxamide has a molecular weight of 1958.30 g/mol, XLogP of 26.25, 30 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-6-propan-2-ylpyrrolo[1,2-c]pyrimidine-7-carboxamide;1-benzyl-7-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-ylindolizine-3-carboxamide;1-benzyl-7-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-ylindolizine-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-ylindolizine-3-carboxamide is sourced from PubChem (CID 158397286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).