4-[[4-cyclopropyloxy-5-(1-methylpyrazol-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopropyloxy-5-(1-methylpyrrol-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-3-methoxybenzamide;3-methoxy-N-methyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzenesulfonamide

C73H77N19O13S — CID 157396229

About 4-[[4-cyclopropyloxy-5-(1-methylpyrazol-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopropyloxy-5-(1-methylpyrrol-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-3-methoxybenzamide;3-methoxy-N-methyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzenesulfonamide

4-[[4-cyclopropyloxy-5-(1-methylpyrazol-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopropyloxy-5-(1-methylpyrrol-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-3-methoxybenzamide;3-methoxy-N-methyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzenesulfonamide (PubChem CID 157396229) has the molecular formula C73H77N19O13S and a molecular weight of 1460.61 g/mol. Its IUPAC name is 4-[[4-cyclopropyloxy-5-(1-methylpyrazol-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopropyloxy-5-(1-methylpyrrol-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-3-methoxybenzamide;3-methoxy-N-methyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzenesulfonamide.

Molecular Properties

• Compound Name: 4-[[4-cyclopropyloxy-5-(1-methylpyrazol-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopropyloxy-5-(1-methylpyrrol-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-3-methoxybenzamide;3-methoxy-N-methyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzenesulfonamide
• PubChem CID: 157396229
• Molecular Formula: C73H77N19O13S
• Molecular Weight: 1460.61 g/mol
• Exact Mass: 1459.57
• IUPAC Name: 4-[[4-cyclopropyloxy-5-(1-methylpyrazol-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopropyloxy-5-(1-methylpyrrol-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-3-methoxybenzamide;3-methoxy-N-methyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzenesulfonamide
• SMILES: CNC(=O)c1ccc(Nc2nc(OC3CC3)c3c(-c4ccn(C)n4)c[nH]c3n2)c(OC)c1.CNS(=O)(=O)c1ccc(Nc2nc(OC3CCOCC3)c3c(-c4ccc5nc(C)oc5c4)c[nH]c3n2)c(OC)c1.COc1cc(C(=O)NCCO)ccc1Nc1nc(OC2CC2)c2c(-c3ccn(C)c3)c[nH]c2n1
• InChI: InChI=1S/C27H28N6O6S.C24H26N6O4.C22H23N7O3/c1-15-30-21-6-4-16(12-23(21)38-15)19-14-29-25-24(19)26(39-17-8-10-37-11-9-17)33-27(32-25)31-20-7-5-18(13-22(20)36-3)40(34,35)28-2;1-30-9-7-15(13-30)17-12-26-21-20(17)23(34-16-4-5-16)29-24(28-21)27-18-6-3-14(11-19(18)33-2)22(32)25-8-10-31;1-23-20(30)12-4-7-16(17(10-12)31-3)25-22-26-19-18(21(27-22)32-13-5-6-13)14(11-24-19)15-8-9-29(2)28-15/h4-7,12-14,17,28H,8-11H2,1-3H3,(H2,29,31,32,33);3,6-7,9,11-13,16,31H,4-5,8,10H2,1-2H3,(H,25,32)(H2,26,27,28,29);4,7-11,13H,5-6H2,1-3H3,(H,23,30)(H2,24,25,26,27)
• InChIKey: BMPHCVYXDQQYKA-UHFFFAOYSA-N
• XLogP: 10.28
• TPSA: 398.79 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 26
• Rotatable Bonds: 24
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1460.61
LogP ≤ 5	10.28
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 4-[[4-cyclopropyloxy-5-(1-methylpyrazol-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopropyloxy-5-(1-methylpyrrol-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-3-methoxybenzamide;3-methoxy-N-methyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzenesulfonamide?

The IUPAC name of 4-[[4-cyclopropyloxy-5-(1-methylpyrazol-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopropyloxy-5-(1-methylpyrrol-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-3-methoxybenzamide;3-methoxy-N-methyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzenesulfonamide (CID 157396229) is 4-[[4-cyclopropyloxy-5-(1-methylpyrazol-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopropyloxy-5-(1-methylpyrrol-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-3-methoxybenzamide;3-methoxy-N-methyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzenesulfonamide.

What is the SMILES notation for 4-[[4-cyclopropyloxy-5-(1-methylpyrazol-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopropyloxy-5-(1-methylpyrrol-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-3-methoxybenzamide;3-methoxy-N-methyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzenesulfonamide?

The canonical SMILES for 4-[[4-cyclopropyloxy-5-(1-methylpyrazol-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopropyloxy-5-(1-methylpyrrol-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-3-methoxybenzamide;3-methoxy-N-methyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzenesulfonamide is CNC(=O)c1ccc(Nc2nc(OC3CC3)c3c(-c4ccn(C)n4)c[nH]c3n2)c(OC)c1.CNS(=O)(=O)c1ccc(Nc2nc(OC3CCOCC3)c3c(-c4ccc5nc(C)oc5c4)c[nH]c3n2)c(OC)c1.COc1cc(C(=O)NCCO)ccc1Nc1nc(OC2CC2)c2c(-c3ccn(C)c3)c[nH]c2n1.

What is the InChIKey of 4-[[4-cyclopropyloxy-5-(1-methylpyrazol-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopropyloxy-5-(1-methylpyrrol-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-3-methoxybenzamide;3-methoxy-N-methyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzenesulfonamide?

The InChIKey is BMPHCVYXDQQYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O6S.C24H26N6O4.C22H23N7O3/c1-15-30-21-6-4-16(12-23(21)38-15)19-14-29-25-24(19)26(39-17-8-10-37-11-9-17)33-27(32-25)31-20-7-5-18(13-22(20)36-3)40(34,35)28-2;1-30-9-7-15(13-30)17-12-26-21-20(17)23(34-16-4-5-16)29-24(28-21)27-18-6-3-14(11-19(18)33-2)22(32)25-8-10-31;1-23-20(30)12-4-7-16(17(10-12)31-3)25-22-26-19-18(21(27-22)32-13-5-6-13)14(11-24-19)15-8-9-29(2)28-15/h4-7,12-14,17,28H,8-11H2,1-3H3,(H2,29,31,32,33);3,6-7,9,11-13,16,31H,4-5,8,10H2,1-2H3,(H,25,32)(H2,26,27,28,29);4,7-11,13H,5-6H2,1-3H3,(H,23,30)(H2,24,25,26,27).

What are the key properties of 4-[[4-cyclopropyloxy-5-(1-methylpyrazol-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopropyloxy-5-(1-methylpyrrol-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-3-methoxybenzamide;3-methoxy-N-methyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzenesulfonamide?

4-[[4-cyclopropyloxy-5-(1-methylpyrazol-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopropyloxy-5-(1-methylpyrrol-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-3-methoxybenzamide;3-methoxy-N-methyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzenesulfonamide has a molecular weight of 1460.61 g/mol, XLogP of 10.28, 24 rotatable bonds, 10 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[4-cyclopropyloxy-5-(1-methylpyrazol-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopropyloxy-5-(1-methylpyrrol-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-3-methoxybenzamide;3-methoxy-N-methyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 157396229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).