5-chloro-N-[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-yl-1-oxopropan-2-yl]-1H-indole-2-carboxamide

C26H37ClN6O3 — CID 91398556

About 5-chloro-N-[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-yl-1-oxopropan-2-yl]-1H-indole-2-carboxamide

5-chloro-N-[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-yl-1-oxopropan-2-yl]-1H-indole-2-carboxamide (PubChem CID 91398556) has the molecular formula C26H37ClN6O3 and a molecular weight of 517.07 g/mol. Its IUPAC name is 5-chloro-N-[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-yl-1-oxopropan-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-yl-1-oxopropan-2-yl]-1H-indole-2-carboxamide
• PubChem CID: 91398556
• Molecular Formula: C26H37ClN6O3
• Molecular Weight: 517.07 g/mol
• Exact Mass: 516.26
• IUPAC Name: 5-chloro-N-[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-yl-1-oxopropan-2-yl]-1H-indole-2-carboxamide
• SMILES: CN1CCC(N2CCN(C(=O)[C@](C)(NC(=O)c3cc4cc(Cl)ccc4[nH]3)N3CCOCC3)CC2)CC1
• InChI: InChI=1S/C26H37ClN6O3/c1-26(33-13-15-36-16-14-33,29-24(34)23-18-19-17-20(27)3-4-22(19)28-23)25(35)32-11-9-31(10-12-32)21-5-7-30(2)8-6-21/h3-4,17-18,21,28H,5-16H2,1-2H3,(H,29,34)/t26-/m1/s1
• InChIKey: IQGABDPZRSELCX-AREMUKBSSA-N
• XLogP: 1.84
• TPSA: 84.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.07
LogP ≤ 5	1.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-yl-1-oxopropan-2-yl]-1H-indole-2-carboxamide?

The IUPAC name of 5-chloro-N-[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-yl-1-oxopropan-2-yl]-1H-indole-2-carboxamide (CID 91398556) is 5-chloro-N-[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-yl-1-oxopropan-2-yl]-1H-indole-2-carboxamide.

What is the SMILES notation for 5-chloro-N-[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-yl-1-oxopropan-2-yl]-1H-indole-2-carboxamide?

The canonical SMILES for 5-chloro-N-[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-yl-1-oxopropan-2-yl]-1H-indole-2-carboxamide is CN1CCC(N2CCN(C(=O)[C@](C)(NC(=O)c3cc4cc(Cl)ccc4[nH]3)N3CCOCC3)CC2)CC1.

What is the InChIKey of 5-chloro-N-[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-yl-1-oxopropan-2-yl]-1H-indole-2-carboxamide?

The InChIKey is IQGABDPZRSELCX-AREMUKBSSA-N. The full InChI is InChI=1S/C26H37ClN6O3/c1-26(33-13-15-36-16-14-33,29-24(34)23-18-19-17-20(27)3-4-22(19)28-23)25(35)32-11-9-31(10-12-32)21-5-7-30(2)8-6-21/h3-4,17-18,21,28H,5-16H2,1-2H3,(H,29,34)/t26-/m1/s1.

What are the key properties of 5-chloro-N-[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-yl-1-oxopropan-2-yl]-1H-indole-2-carboxamide?

5-chloro-N-[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-yl-1-oxopropan-2-yl]-1H-indole-2-carboxamide has a molecular weight of 517.07 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-yl-1-oxopropan-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 91398556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).