N-(1-acetylazetidin-3-yl)-4-[[4-(cyclopentylmethyl)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxybenzamide;4-cyclopentyloxy-N-(1,3-dimethylpyrazol-4-yl)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-cyclopenta[d]pyrimidin-2-yl]amino]-N-(2,2-difluoropropyl)-3-methoxybenzamide

C90H93F2N17O10 — CID 159463784

About N-(1-acetylazetidin-3-yl)-4-[[4-(cyclopentylmethyl)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxybenzamide;4-cyclopentyloxy-N-(1,3-dimethylpyrazol-4-yl)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-cyclopenta[d]pyrimidin-2-yl]amino]-N-(2,2-difluoropropyl)-3-methoxybenzamide

N-(1-acetylazetidin-3-yl)-4-[[4-(cyclopentylmethyl)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxybenzamide;4-cyclopentyloxy-N-(1,3-dimethylpyrazol-4-yl)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-cyclopenta[d]pyrimidin-2-yl]amino]-N-(2,2-difluoropropyl)-3-methoxybenzamide (PubChem CID 159463784) has the molecular formula C90H93F2N17O10 and a molecular weight of 1610.84 g/mol. Its IUPAC name is N-(1-acetylazetidin-3-yl)-4-[[4-(cyclopentylmethyl)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxybenzamide;4-cyclopentyloxy-N-(1,3-dimethylpyrazol-4-yl)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-cyclopenta[d]pyrimidin-2-yl]amino]-N-(2,2-difluoropropyl)-3-methoxybenzamide.

Molecular Properties

• Compound Name: N-(1-acetylazetidin-3-yl)-4-[[4-(cyclopentylmethyl)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxybenzamide;4-cyclopentyloxy-N-(1,3-dimethylpyrazol-4-yl)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-cyclopenta[d]pyrimidin-2-yl]amino]-N-(2,2-difluoropropyl)-3-methoxybenzamide
• PubChem CID: 159463784
• Molecular Formula: C90H93F2N17O10
• Molecular Weight: 1610.84 g/mol
• Exact Mass: 1609.73
• IUPAC Name: N-(1-acetylazetidin-3-yl)-4-[[4-(cyclopentylmethyl)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxybenzamide;4-cyclopentyloxy-N-(1,3-dimethylpyrazol-4-yl)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-cyclopenta[d]pyrimidin-2-yl]amino]-N-(2,2-difluoropropyl)-3-methoxybenzamide
• SMILES: COc1cc(C(=O)NC2CN(C(C)=O)C2)ccc1Cc1nc2c(c(CC3CCCC3)n1)C(c1ccc3nc(C)oc3c1)=CC2.COc1cc(C(=O)NCC(C)(F)F)ccc1Nc1nc2c(c(OC3CCCC3)n1)C(c1ccc3nc(C)oc3c1)=CC2.Cc1nc2ccc(-c3c[nH]c4nc(Nc5cn(C)nc5C)nc(OC5CCCC5)c34)cc2o1
• InChI: InChI=1S/C35H37N5O4.C31H31F2N5O4.C24H25N7O2/c1-20-36-28-12-10-23(15-32(28)44-20)27-11-13-29-34(27)30(14-22-6-4-5-7-22)39-33(38-29)17-24-8-9-25(16-31(24)43-3)35(42)37-26-18-40(19-26)21(2)41;1-17-35-23-11-8-18(14-26(23)41-17)21-10-13-24-27(21)29(42-20-6-4-5-7-20)38-30(37-24)36-22-12-9-19(15-25(22)40-3)28(39)34-16-31(2,32)33;1-13-19(12-31(3)30-13)27-24-28-22-21(23(29-24)33-16-6-4-5-7-16)17(11-25-22)15-8-9-18-20(10-15)32-14(2)26-18/h8-12,15-16,22,26H,4-7,13-14,17-19H2,1-3H3,(H,37,42);8-12,14-15,20H,4-7,13,16H2,1-3H3,(H,34,39)(H,36,37,38);8-12,16H,4-7H2,1-3H3,(H2,25,27,28,29)
• InChIKey: LUXPGGGPALRWLZ-UHFFFAOYSA-N
• XLogP: 16.76
• TPSA: 328.53 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 22
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1610.84
LogP ≤ 5	16.76
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylazetidin-3-yl)-4-[[4-(cyclopentylmethyl)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxybenzamide;4-cyclopentyloxy-N-(1,3-dimethylpyrazol-4-yl)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-cyclopenta[d]pyrimidin-2-yl]amino]-N-(2,2-difluoropropyl)-3-methoxybenzamide?

The IUPAC name of N-(1-acetylazetidin-3-yl)-4-[[4-(cyclopentylmethyl)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxybenzamide;4-cyclopentyloxy-N-(1,3-dimethylpyrazol-4-yl)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-cyclopenta[d]pyrimidin-2-yl]amino]-N-(2,2-difluoropropyl)-3-methoxybenzamide (CID 159463784) is N-(1-acetylazetidin-3-yl)-4-[[4-(cyclopentylmethyl)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxybenzamide;4-cyclopentyloxy-N-(1,3-dimethylpyrazol-4-yl)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-cyclopenta[d]pyrimidin-2-yl]amino]-N-(2,2-difluoropropyl)-3-methoxybenzamide.

What is the SMILES notation for N-(1-acetylazetidin-3-yl)-4-[[4-(cyclopentylmethyl)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxybenzamide;4-cyclopentyloxy-N-(1,3-dimethylpyrazol-4-yl)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-cyclopenta[d]pyrimidin-2-yl]amino]-N-(2,2-difluoropropyl)-3-methoxybenzamide?

The canonical SMILES for N-(1-acetylazetidin-3-yl)-4-[[4-(cyclopentylmethyl)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxybenzamide;4-cyclopentyloxy-N-(1,3-dimethylpyrazol-4-yl)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-cyclopenta[d]pyrimidin-2-yl]amino]-N-(2,2-difluoropropyl)-3-methoxybenzamide is COc1cc(C(=O)NC2CN(C(C)=O)C2)ccc1Cc1nc2c(c(CC3CCCC3)n1)C(c1ccc3nc(C)oc3c1)=CC2.COc1cc(C(=O)NCC(C)(F)F)ccc1Nc1nc2c(c(OC3CCCC3)n1)C(c1ccc3nc(C)oc3c1)=CC2.Cc1nc2ccc(-c3c[nH]c4nc(Nc5cn(C)nc5C)nc(OC5CCCC5)c34)cc2o1.

What is the InChIKey of N-(1-acetylazetidin-3-yl)-4-[[4-(cyclopentylmethyl)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxybenzamide;4-cyclopentyloxy-N-(1,3-dimethylpyrazol-4-yl)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-cyclopenta[d]pyrimidin-2-yl]amino]-N-(2,2-difluoropropyl)-3-methoxybenzamide?

The InChIKey is LUXPGGGPALRWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37N5O4.C31H31F2N5O4.C24H25N7O2/c1-20-36-28-12-10-23(15-32(28)44-20)27-11-13-29-34(27)30(14-22-6-4-5-7-22)39-33(38-29)17-24-8-9-25(16-31(24)43-3)35(42)37-26-18-40(19-26)21(2)41;1-17-35-23-11-8-18(14-26(23)41-17)21-10-13-24-27(21)29(42-20-6-4-5-7-20)38-30(37-24)36-22-12-9-19(15-25(22)40-3)28(39)34-16-31(2,32)33;1-13-19(12-31(3)30-13)27-24-28-22-21(23(29-24)33-16-6-4-5-7-16)17(11-25-22)15-8-9-18-20(10-15)32-14(2)26-18/h8-12,15-16,22,26H,4-7,13-14,17-19H2,1-3H3,(H,37,42);8-12,14-15,20H,4-7,13,16H2,1-3H3,(H,34,39)(H,36,37,38);8-12,16H,4-7H2,1-3H3,(H2,25,27,28,29).

What are the key properties of N-(1-acetylazetidin-3-yl)-4-[[4-(cyclopentylmethyl)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxybenzamide;4-cyclopentyloxy-N-(1,3-dimethylpyrazol-4-yl)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-cyclopenta[d]pyrimidin-2-yl]amino]-N-(2,2-difluoropropyl)-3-methoxybenzamide?

N-(1-acetylazetidin-3-yl)-4-[[4-(cyclopentylmethyl)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxybenzamide;4-cyclopentyloxy-N-(1,3-dimethylpyrazol-4-yl)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-cyclopenta[d]pyrimidin-2-yl]amino]-N-(2,2-difluoropropyl)-3-methoxybenzamide has a molecular weight of 1610.84 g/mol, XLogP of 16.76, 22 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-acetylazetidin-3-yl)-4-[[4-(cyclopentylmethyl)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxybenzamide;4-cyclopentyloxy-N-(1,3-dimethylpyrazol-4-yl)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-cyclopenta[d]pyrimidin-2-yl]amino]-N-(2,2-difluoropropyl)-3-methoxybenzamide is sourced from PubChem (CID 159463784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).