5-chloro-N-[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-morpholin-4-yl-1-oxopropan-2-yl]-1H-indole-2-carboxamide

C26H37ClN6O3 — CID 23540223

IUPAC5-chloro-N-[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-morpholin-4-yl-1-oxopropan-2-yl]-1H-indole-2-carboxamide
SMILESCN1CCC(N2CCN(C(=O)[C@@H](CN3CCOCC3)NC(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)CC1
InChIInChI=1S/C26H37ClN6O3/c1-30-6-4-21(5-7-30)32-8-10-33(11-9-32)26(35)24(18-31-12-14-36-15-13-31)29-25(34)23-17-19-16-20(27)2-3-22(19)28-23/h2-3,16-17,21,24,28H,4-15,18H2,1H3,(H,29,34)/t24-/m1/s1
InChIKeyKXGBJSKPOFNPTK-XMMPIXPASA-N
MW517.07 g/mol
LogP1.49
Rot. Bonds6

About 5-chloro-N-[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-morpholin-4-yl-1-oxopropan-2-yl]-1H-indole-2-carboxamide

5-chloro-N-[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-morpholin-4-yl-1-oxopropan-2-yl]-1H-indole-2-carboxamide (PubChem CID 23540223) 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]-3-morpholin-4-yl-1-oxopropan-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-morpholin-4-yl-1-oxopropan-2-yl]-1H-indole-2-carboxamide
PubChem CID23540223
Molecular FormulaC26H37ClN6O3
Molecular Weight517.07 g/mol
Exact Mass516.26
IUPAC Name5-chloro-N-[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-morpholin-4-yl-1-oxopropan-2-yl]-1H-indole-2-carboxamide
SMILESCN1CCC(N2CCN(C(=O)[C@@H](CN3CCOCC3)NC(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)CC1
InChIInChI=1S/C26H37ClN6O3/c1-30-6-4-21(5-7-30)32-8-10-33(11-9-32)26(35)24(18-31-12-14-36-15-13-31)29-25(34)23-17-19-16-20(27)2-3-22(19)28-23/h2-3,16-17,21,24,28H,4-15,18H2,1H3,(H,29,34)/t24-/m1/s1
InChIKeyKXGBJSKPOFNPTK-XMMPIXPASA-N
XLogP1.49
TPSA84.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.07
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-chloro-N-[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-morpholin-4-yl-1-oxopropan-2-yl]-1H-indole-2-carboxamide with MolForge

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Related Compounds

5-chloro-N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxobutan-2-yl]-1H-indole-2-carboxamide;hydrochloride
CID 69142306
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
5-chloro-N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-yl-1-oxopropan-2-yl]-1H-indole-2-carboxamide;hydrochloride
CID 69329098
(4R)-4-[(5-chloro-1H-indole-2-carbonyl)amino]-2-methyl-5-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-5-oxopentanoic acid;hydrochloride
CID 21060548
5-chloro-N-[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxo-2-piperidin-1-ylpropan-2-yl]-1H-indole-2-carboxamide
CID 90885496
5-chloro-N-[(2S)-1-oxo-1-[4-(trifluoromethoxy)piperidin-1-yl]butan-2-yl]-1H-indole-2-carboxamide
CID 176993914
5-fluoro-N-[(2S)-3-(4-fluorophenyl)-1-morpholin-4-yl-1-oxopropan-2-yl]-1H-indole-2-carboxamide
CID 57312076
(2R)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 93077025
5-chloro-N-[4-(2-morpholin-4-ylethyl)phenyl]-1H-indole-2-carboxamide
CID 55977270
6-chloro-N-[(2R)-3-hydroxy-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]-1-benzothiophene-2-carboxamide
CID 23540247
5-chloro-N-[3-(5-chloro-2-pyridinyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide
CID 168922734
N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-(oxan-4-yl)-1-oxopropan-2-yl]-1H-indole-6-carboxamide;hydrochloride
CID 21060590

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-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]-3-morpholin-4-yl-1-oxopropan-2-yl]-1H-indole-2-carboxamide (CID 23540223) is 5-chloro-N-[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-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]-3-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]-3-morpholin-4-yl-1-oxopropan-2-yl]-1H-indole-2-carboxamide is CN1CCC(N2CCN(C(=O)[C@@H](CN3CCOCC3)NC(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)CC1.
What is the InChIKey of 5-chloro-N-[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-morpholin-4-yl-1-oxopropan-2-yl]-1H-indole-2-carboxamide?
The InChIKey is KXGBJSKPOFNPTK-XMMPIXPASA-N. The full InChI is InChI=1S/C26H37ClN6O3/c1-30-6-4-21(5-7-30)32-8-10-33(11-9-32)26(35)24(18-31-12-14-36-15-13-31)29-25(34)23-17-19-16-20(27)2-3-22(19)28-23/h2-3,16-17,21,24,28H,4-15,18H2,1H3,(H,29,34)/t24-/m1/s1.
What are the key properties of 5-chloro-N-[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-morpholin-4-yl-1-oxopropan-2-yl]-1H-indole-2-carboxamide?
5-chloro-N-[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-morpholin-4-yl-1-oxopropan-2-yl]-1H-indole-2-carboxamide has a molecular weight of 517.07 g/mol, XLogP of 1.49, 6 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]-3-morpholin-4-yl-1-oxopropan-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 23540223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).