N-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(piperidin-4-ylmethyl)-1,3-thiazol-2-amine;[5-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methanone;[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-piperazin-1-ylmethanone;N,N,5-trimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxamide

C107H100N22O6S5 — CID 158169497

About N-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(piperidin-4-ylmethyl)-1,3-thiazol-2-amine;[5-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methanone;[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-piperazin-1-ylmethanone;N,N,5-trimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxamide

N-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(piperidin-4-ylmethyl)-1,3-thiazol-2-amine;[5-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methanone;[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-piperazin-1-ylmethanone;N,N,5-trimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxamide (PubChem CID 158169497) has the molecular formula C107H100N22O6S5 and a molecular weight of 1950.46 g/mol. Its IUPAC name is N-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(piperidin-4-ylmethyl)-1,3-thiazol-2-amine;[5-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methanone;[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-piperazin-1-ylmethanone;N,N,5-trimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxamide.

Molecular Properties

• Compound Name: N-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(piperidin-4-ylmethyl)-1,3-thiazol-2-amine;[5-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methanone;[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-piperazin-1-ylmethanone;N,N,5-trimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxamide
• PubChem CID: 158169497
• Molecular Formula: C107H100N22O6S5
• Molecular Weight: 1950.46 g/mol
• Exact Mass: 1948.68
• IUPAC Name: N-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(piperidin-4-ylmethyl)-1,3-thiazol-2-amine;[5-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methanone;[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-piperazin-1-ylmethanone;N,N,5-trimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxamide
• SMILES: CN(CC1CCNCC1)c1nc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cs1.Cc1sc(C(=O)N(C)C)nc1-c1c[nH]c2ncc(-c3ccccc3)cc12.Cc1sc(C(=O)N2CCOCC2)nc1-c1c[nH]c2ncc(-c3ccccc3)cc12.O=C(c1nc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cs1)N1CCNCC1.O=C(c1nc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cs1)N1CCOCC1
• InChI: InChI=1S/C23H25N5S.C22H20N4O2S.C21H19N5OS.C21H18N4O2S.C20H18N4OS/c1-28(14-16-7-9-24-10-8-16)23-27-21(15-29-23)20-13-26-22-19(20)11-18(12-25-22)17-5-3-2-4-6-17;1-14-19(25-21(29-14)22(27)26-7-9-28-10-8-26)18-13-24-20-17(18)11-16(12-23-20)15-5-3-2-4-6-15;27-21(26-8-6-22-7-9-26)20-25-18(13-28-20)17-12-24-19-16(17)10-15(11-23-19)14-4-2-1-3-5-14;26-21(25-6-8-27-9-7-25)20-24-18(13-28-20)17-12-23-19-16(17)10-15(11-22-19)14-4-2-1-3-5-14;1-12-17(23-19(26-12)20(25)24(2)3)16-11-22-18-15(16)9-14(10-21-18)13-7-5-4-6-8-13/h2-6,11-13,15-16,24H,7-10,14H2,1H3,(H,25,26);2-6,11-13H,7-10H2,1H3,(H,23,24);1-5,10-13,22H,6-9H2,(H,23,24);1-5,10-13H,6-9H2,(H,22,23);4-11H,1-3H3,(H,21,22)
• InChIKey: FXGSQYKCTYYPHP-UHFFFAOYSA-N
• XLogP: 20.51
• TPSA: 334.85 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 24
• Rotatable Bonds: 17
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1950.46
LogP ≤ 5	20.51
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(piperidin-4-ylmethyl)-1,3-thiazol-2-amine;[5-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methanone;[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-piperazin-1-ylmethanone;N,N,5-trimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxamide?

The IUPAC name of N-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(piperidin-4-ylmethyl)-1,3-thiazol-2-amine;[5-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methanone;[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-piperazin-1-ylmethanone;N,N,5-trimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxamide (CID 158169497) is N-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(piperidin-4-ylmethyl)-1,3-thiazol-2-amine;[5-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methanone;[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-piperazin-1-ylmethanone;N,N,5-trimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxamide.

What is the SMILES notation for N-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(piperidin-4-ylmethyl)-1,3-thiazol-2-amine;[5-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methanone;[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-piperazin-1-ylmethanone;N,N,5-trimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxamide?

The canonical SMILES for N-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(piperidin-4-ylmethyl)-1,3-thiazol-2-amine;[5-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methanone;[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-piperazin-1-ylmethanone;N,N,5-trimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxamide is CN(CC1CCNCC1)c1nc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cs1.Cc1sc(C(=O)N(C)C)nc1-c1c[nH]c2ncc(-c3ccccc3)cc12.Cc1sc(C(=O)N2CCOCC2)nc1-c1c[nH]c2ncc(-c3ccccc3)cc12.O=C(c1nc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cs1)N1CCNCC1.O=C(c1nc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cs1)N1CCOCC1.

What is the InChIKey of N-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(piperidin-4-ylmethyl)-1,3-thiazol-2-amine;[5-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methanone;[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-piperazin-1-ylmethanone;N,N,5-trimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxamide?

The InChIKey is FXGSQYKCTYYPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5S.C22H20N4O2S.C21H19N5OS.C21H18N4O2S.C20H18N4OS/c1-28(14-16-7-9-24-10-8-16)23-27-21(15-29-23)20-13-26-22-19(20)11-18(12-25-22)17-5-3-2-4-6-17;1-14-19(25-21(29-14)22(27)26-7-9-28-10-8-26)18-13-24-20-17(18)11-16(12-23-20)15-5-3-2-4-6-15;27-21(26-8-6-22-7-9-26)20-25-18(13-28-20)17-12-24-19-16(17)10-15(11-23-19)14-4-2-1-3-5-14;26-21(25-6-8-27-9-7-25)20-24-18(13-28-20)17-12-23-19-16(17)10-15(11-22-19)14-4-2-1-3-5-14;1-12-17(23-19(26-12)20(25)24(2)3)16-11-22-18-15(16)9-14(10-21-18)13-7-5-4-6-8-13/h2-6,11-13,15-16,24H,7-10,14H2,1H3,(H,25,26);2-6,11-13H,7-10H2,1H3,(H,23,24);1-5,10-13,22H,6-9H2,(H,23,24);1-5,10-13H,6-9H2,(H,22,23);4-11H,1-3H3,(H,21,22).

What are the key properties of N-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(piperidin-4-ylmethyl)-1,3-thiazol-2-amine;[5-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methanone;[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-piperazin-1-ylmethanone;N,N,5-trimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxamide?

N-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(piperidin-4-ylmethyl)-1,3-thiazol-2-amine;[5-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methanone;[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-piperazin-1-ylmethanone;N,N,5-trimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxamide has a molecular weight of 1950.46 g/mol, XLogP of 20.51, 17 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(piperidin-4-ylmethyl)-1,3-thiazol-2-amine;[5-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methanone;[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-piperazin-1-ylmethanone;N,N,5-trimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 158169497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).