N-(cyclopropylmethyl)-6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-1,2-dimethylindole-3-carboxamide

C27H28N4O4S — CID 59990795

About N-(cyclopropylmethyl)-6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-1,2-dimethylindole-3-carboxamide

N-(cyclopropylmethyl)-6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-1,2-dimethylindole-3-carboxamide (PubChem CID 59990795) has the molecular formula C27H28N4O4S and a molecular weight of 504.61 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-1,2-dimethylindole-3-carboxamide.

Molecular Properties

• Compound Name: N-(cyclopropylmethyl)-6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-1,2-dimethylindole-3-carboxamide
• PubChem CID: 59990795
• Molecular Formula: C27H28N4O4S
• Molecular Weight: 504.61 g/mol
• Exact Mass: 504.18
• IUPAC Name: N-(cyclopropylmethyl)-6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-1,2-dimethylindole-3-carboxamide
• SMILES: Cc1c(C(=O)NCC2CC2)c2ccc(Oc3ccnc4cc(C(=O)N5CC[C@@H](O)C5)sc34)cc2n1C
• InChI: InChI=1S/C27H28N4O4S/c1-15-24(26(33)29-13-16-3-4-16)19-6-5-18(11-21(19)30(15)2)35-22-7-9-28-20-12-23(36-25(20)22)27(34)31-10-8-17(32)14-31/h5-7,9,11-12,16-17,32H,3-4,8,10,13-14H2,1-2H3,(H,29,33)/t17-/m1/s1
• InChIKey: RWALXQMZANWHCR-QGZVFWFLSA-N
• XLogP: 4.24
• TPSA: 96.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.61
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-1,2-dimethylindole-3-carboxamide?

The IUPAC name of N-(cyclopropylmethyl)-6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-1,2-dimethylindole-3-carboxamide (CID 59990795) is N-(cyclopropylmethyl)-6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-1,2-dimethylindole-3-carboxamide.

What is the SMILES notation for N-(cyclopropylmethyl)-6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-1,2-dimethylindole-3-carboxamide?

The canonical SMILES for N-(cyclopropylmethyl)-6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-1,2-dimethylindole-3-carboxamide is Cc1c(C(=O)NCC2CC2)c2ccc(Oc3ccnc4cc(C(=O)N5CC[C@@H](O)C5)sc34)cc2n1C.

What is the InChIKey of N-(cyclopropylmethyl)-6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-1,2-dimethylindole-3-carboxamide?

The InChIKey is RWALXQMZANWHCR-QGZVFWFLSA-N. The full InChI is InChI=1S/C27H28N4O4S/c1-15-24(26(33)29-13-16-3-4-16)19-6-5-18(11-21(19)30(15)2)35-22-7-9-28-20-12-23(36-25(20)22)27(34)31-10-8-17(32)14-31/h5-7,9,11-12,16-17,32H,3-4,8,10,13-14H2,1-2H3,(H,29,33)/t17-/m1/s1.

What are the key properties of N-(cyclopropylmethyl)-6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-1,2-dimethylindole-3-carboxamide?

N-(cyclopropylmethyl)-6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-1,2-dimethylindole-3-carboxamide has a molecular weight of 504.61 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(cyclopropylmethyl)-6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-1,2-dimethylindole-3-carboxamide is sourced from PubChem (CID 59990795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).