N'-(5-chloro-2-pyridinyl)-N-[3-(1H-indol-3-yl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]propyl]oxamide

C26H26ClN7O3S — CID 58893854

IUPACN'-(5-chloro-2-pyridinyl)-N-[3-(1H-indol-3-yl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]propyl]oxamide
SMILESCN1CCc2nc(C(=O)NC(CNC(=O)C(=O)Nc3ccc(Cl)cn3)Cc3c[nH]c4ccccc34)sc2C1
InChIInChI=1S/C26H26ClN7O3S/c1-34-9-8-20-21(14-34)38-26(32-20)25(37)31-17(10-15-11-28-19-5-3-2-4-18(15)19)13-30-23(35)24(36)33-22-7-6-16(27)12-29-22/h2-7,11-12,17,28H,8-10,13-14H2,1H3,(H,30,35)(H,31,37)(H,29,33,36)
InChIKeyNTXVXPLISJNAFO-UHFFFAOYSA-N
MW552.06 g/mol
LogP2.76
Rot. Bonds7

About N'-(5-chloro-2-pyridinyl)-N-[3-(1H-indol-3-yl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]propyl]oxamide

N'-(5-chloro-2-pyridinyl)-N-[3-(1H-indol-3-yl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]propyl]oxamide (PubChem CID 58893854) has the molecular formula C26H26ClN7O3S and a molecular weight of 552.06 g/mol. Its IUPAC name is N'-(5-chloro-2-pyridinyl)-N-[3-(1H-indol-3-yl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]propyl]oxamide.

Molecular Properties

Compound NameN'-(5-chloro-2-pyridinyl)-N-[3-(1H-indol-3-yl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]propyl]oxamide
PubChem CID58893854
Molecular FormulaC26H26ClN7O3S
Molecular Weight552.06 g/mol
Exact Mass551.15
IUPAC NameN'-(5-chloro-2-pyridinyl)-N-[3-(1H-indol-3-yl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]propyl]oxamide
SMILESCN1CCc2nc(C(=O)NC(CNC(=O)C(=O)Nc3ccc(Cl)cn3)Cc3c[nH]c4ccccc34)sc2C1
InChIInChI=1S/C26H26ClN7O3S/c1-34-9-8-20-21(14-34)38-26(32-20)25(37)31-17(10-15-11-28-19-5-3-2-4-18(15)19)13-30-23(35)24(36)33-22-7-6-16(27)12-29-22/h2-7,11-12,17,28H,8-10,13-14H2,1H3,(H,30,35)(H,31,37)(H,29,33,36)
InChIKeyNTXVXPLISJNAFO-UHFFFAOYSA-N
XLogP2.76
TPSA132.11 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.06
LogP ≤ 52.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-pyridinyl)-N-[3-(1H-indol-3-yl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]propyl]oxamide?
The IUPAC name of N'-(5-chloro-2-pyridinyl)-N-[3-(1H-indol-3-yl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]propyl]oxamide (CID 58893854) is N'-(5-chloro-2-pyridinyl)-N-[3-(1H-indol-3-yl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]propyl]oxamide.
What is the SMILES notation for N'-(5-chloro-2-pyridinyl)-N-[3-(1H-indol-3-yl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]propyl]oxamide?
The canonical SMILES for N'-(5-chloro-2-pyridinyl)-N-[3-(1H-indol-3-yl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]propyl]oxamide is CN1CCc2nc(C(=O)NC(CNC(=O)C(=O)Nc3ccc(Cl)cn3)Cc3c[nH]c4ccccc34)sc2C1.
What is the InChIKey of N'-(5-chloro-2-pyridinyl)-N-[3-(1H-indol-3-yl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]propyl]oxamide?
The InChIKey is NTXVXPLISJNAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN7O3S/c1-34-9-8-20-21(14-34)38-26(32-20)25(37)31-17(10-15-11-28-19-5-3-2-4-18(15)19)13-30-23(35)24(36)33-22-7-6-16(27)12-29-22/h2-7,11-12,17,28H,8-10,13-14H2,1H3,(H,30,35)(H,31,37)(H,29,33,36).
What are the key properties of N'-(5-chloro-2-pyridinyl)-N-[3-(1H-indol-3-yl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]propyl]oxamide?
N'-(5-chloro-2-pyridinyl)-N-[3-(1H-indol-3-yl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]propyl]oxamide has a molecular weight of 552.06 g/mol, XLogP of 2.76, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-pyridinyl)-N-[3-(1H-indol-3-yl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]propyl]oxamide is sourced from PubChem (CID 58893854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).