N-[(3R,4S)-1-acetyl-4-[(5-chloro-1H-indole-2-carbonyl)amino]piperidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

C24H27ClN6O3S — CID 25015739

IUPACN-[(3R,4S)-1-acetyl-4-[(5-chloro-1H-indole-2-carbonyl)amino]piperidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCC(=O)N1CCC(NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@H](NC(=O)c2nc3c(s2)CN(C)CC3)C1
InChIInChI=1S/C24H27ClN6O3S/c1-13(32)31-8-6-17(27-22(33)19-10-14-9-15(25)3-4-16(14)26-19)20(11-31)28-23(34)24-29-18-5-7-30(2)12-21(18)35-24/h3-4,9-10,17,20,26H,5-8,11-12H2,1-2H3,(H,27,33)(H,28,34)/t17?,20-/m1/s1
InChIKeyFZXMYKGXLJPDMQ-UUSAFJCLSA-N
MW515.04 g/mol
LogP2.41
Rot. Bonds4

About N-[(3R,4S)-1-acetyl-4-[(5-chloro-1H-indole-2-carbonyl)amino]piperidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

N-[(3R,4S)-1-acetyl-4-[(5-chloro-1H-indole-2-carbonyl)amino]piperidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (PubChem CID 25015739) has the molecular formula C24H27ClN6O3S and a molecular weight of 515.04 g/mol. Its IUPAC name is N-[(3R,4S)-1-acetyl-4-[(5-chloro-1H-indole-2-carbonyl)amino]piperidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-1-acetyl-4-[(5-chloro-1H-indole-2-carbonyl)amino]piperidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
PubChem CID25015739
Molecular FormulaC24H27ClN6O3S
Molecular Weight515.04 g/mol
Exact Mass514.16
IUPAC NameN-[(3R,4S)-1-acetyl-4-[(5-chloro-1H-indole-2-carbonyl)amino]piperidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCC(=O)N1CCC(NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@H](NC(=O)c2nc3c(s2)CN(C)CC3)C1
InChIInChI=1S/C24H27ClN6O3S/c1-13(32)31-8-6-17(27-22(33)19-10-14-9-15(25)3-4-16(14)26-19)20(11-31)28-23(34)24-29-18-5-7-30(2)12-21(18)35-24/h3-4,9-10,17,20,26H,5-8,11-12H2,1-2H3,(H,27,33)(H,28,34)/t17?,20-/m1/s1
InChIKeyFZXMYKGXLJPDMQ-UUSAFJCLSA-N
XLogP2.41
TPSA110.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.04
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-acetyl-4-[(5-chloro-1H-indole-2-carbonyl)amino]piperidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The IUPAC name of N-[(3R,4S)-1-acetyl-4-[(5-chloro-1H-indole-2-carbonyl)amino]piperidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (CID 25015739) is N-[(3R,4S)-1-acetyl-4-[(5-chloro-1H-indole-2-carbonyl)amino]piperidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[(3R,4S)-1-acetyl-4-[(5-chloro-1H-indole-2-carbonyl)amino]piperidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The canonical SMILES for N-[(3R,4S)-1-acetyl-4-[(5-chloro-1H-indole-2-carbonyl)amino]piperidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is CC(=O)N1CCC(NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@H](NC(=O)c2nc3c(s2)CN(C)CC3)C1.
What is the InChIKey of N-[(3R,4S)-1-acetyl-4-[(5-chloro-1H-indole-2-carbonyl)amino]piperidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The InChIKey is FZXMYKGXLJPDMQ-UUSAFJCLSA-N. The full InChI is InChI=1S/C24H27ClN6O3S/c1-13(32)31-8-6-17(27-22(33)19-10-14-9-15(25)3-4-16(14)26-19)20(11-31)28-23(34)24-29-18-5-7-30(2)12-21(18)35-24/h3-4,9-10,17,20,26H,5-8,11-12H2,1-2H3,(H,27,33)(H,28,34)/t17?,20-/m1/s1.
What are the key properties of N-[(3R,4S)-1-acetyl-4-[(5-chloro-1H-indole-2-carbonyl)amino]piperidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
N-[(3R,4S)-1-acetyl-4-[(5-chloro-1H-indole-2-carbonyl)amino]piperidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide has a molecular weight of 515.04 g/mol, XLogP of 2.41, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-acetyl-4-[(5-chloro-1H-indole-2-carbonyl)amino]piperidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 25015739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).