N-(1,3-dimorpholin-4-ylpropan-2-yl)-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide

C29H34N8O3 — CID 71233706

About N-(1,3-dimorpholin-4-ylpropan-2-yl)-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide

N-(1,3-dimorpholin-4-ylpropan-2-yl)-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide (PubChem CID 71233706) has the molecular formula C29H34N8O3 and a molecular weight of 542.64 g/mol. Its IUPAC name is N-(1,3-dimorpholin-4-ylpropan-2-yl)-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: N-(1,3-dimorpholin-4-ylpropan-2-yl)-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide
• PubChem CID: 71233706
• Molecular Formula: C29H34N8O3
• Molecular Weight: 542.64 g/mol
• Exact Mass: 542.28
• IUPAC Name: N-(1,3-dimorpholin-4-ylpropan-2-yl)-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide
• SMILES: O=C(NC(CN1CCOCC1)CN1CCOCC1)c1cc2cc(Nc3nccc(-c4ccccn4)n3)ccc2[nH]1
• InChI: InChI=1S/C29H34N8O3/c38-28(32-23(19-36-9-13-39-14-10-36)20-37-11-15-40-16-12-37)27-18-21-17-22(4-5-24(21)34-27)33-29-31-8-6-26(35-29)25-3-1-2-7-30-25/h1-8,17-18,23,34H,9-16,19-20H2,(H,32,38)(H,31,33,35)
• InChIKey: IFKJFCSRXGDOJH-UHFFFAOYSA-N
• XLogP: 2.53
• TPSA: 120.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	542.64
LogP ≤ 5	2.53
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimorpholin-4-ylpropan-2-yl)-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide?

The IUPAC name of N-(1,3-dimorpholin-4-ylpropan-2-yl)-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide (CID 71233706) is N-(1,3-dimorpholin-4-ylpropan-2-yl)-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide.

What is the SMILES notation for N-(1,3-dimorpholin-4-ylpropan-2-yl)-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide?

The canonical SMILES for N-(1,3-dimorpholin-4-ylpropan-2-yl)-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide is O=C(NC(CN1CCOCC1)CN1CCOCC1)c1cc2cc(Nc3nccc(-c4ccccn4)n3)ccc2[nH]1.

What is the InChIKey of N-(1,3-dimorpholin-4-ylpropan-2-yl)-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide?

The InChIKey is IFKJFCSRXGDOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N8O3/c38-28(32-23(19-36-9-13-39-14-10-36)20-37-11-15-40-16-12-37)27-18-21-17-22(4-5-24(21)34-27)33-29-31-8-6-26(35-29)25-3-1-2-7-30-25/h1-8,17-18,23,34H,9-16,19-20H2,(H,32,38)(H,31,33,35).

What are the key properties of N-(1,3-dimorpholin-4-ylpropan-2-yl)-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide?

N-(1,3-dimorpholin-4-ylpropan-2-yl)-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide has a molecular weight of 542.64 g/mol, XLogP of 2.53, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,3-dimorpholin-4-ylpropan-2-yl)-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide is sourced from PubChem (CID 71233706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).