4-chloro-N-[6-(5-cyclopropyl-1H-pyrazol-3-yl)-3-pyridinyl]-3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide

C23H24ClN5O3S — CID 169121992

IUPAC4-chloro-N-[6-(5-cyclopropyl-1H-pyrazol-3-yl)-3-pyridinyl]-3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide
SMILESO=C(Nc1ccc(-c2cc(C3CC3)[nH]n2)nc1)c1ccc(Cl)c(CN2CCS(=O)(=O)CC2)c1
InChIInChI=1S/C23H24ClN5O3S/c24-19-5-3-16(11-17(19)14-29-7-9-33(31,32)10-8-29)23(30)26-18-4-6-20(25-13-18)22-12-21(27-28-22)15-1-2-15/h3-6,11-13,15H,1-2,7-10,14H2,(H,26,30)(H,27,28)
InChIKeyDZOWTMOKXUXLOP-UHFFFAOYSA-N
MW486.00 g/mol
LogP3.49
Rot. Bonds6

About 4-chloro-N-[6-(5-cyclopropyl-1H-pyrazol-3-yl)-3-pyridinyl]-3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide

4-chloro-N-[6-(5-cyclopropyl-1H-pyrazol-3-yl)-3-pyridinyl]-3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide (PubChem CID 169121992) has the molecular formula C23H24ClN5O3S and a molecular weight of 486.00 g/mol. Its IUPAC name is 4-chloro-N-[6-(5-cyclopropyl-1H-pyrazol-3-yl)-3-pyridinyl]-3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[6-(5-cyclopropyl-1H-pyrazol-3-yl)-3-pyridinyl]-3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide
PubChem CID169121992
Molecular FormulaC23H24ClN5O3S
Molecular Weight486.00 g/mol
Exact Mass485.13
IUPAC Name4-chloro-N-[6-(5-cyclopropyl-1H-pyrazol-3-yl)-3-pyridinyl]-3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide
SMILESO=C(Nc1ccc(-c2cc(C3CC3)[nH]n2)nc1)c1ccc(Cl)c(CN2CCS(=O)(=O)CC2)c1
InChIInChI=1S/C23H24ClN5O3S/c24-19-5-3-16(11-17(19)14-29-7-9-33(31,32)10-8-29)23(30)26-18-4-6-20(25-13-18)22-12-21(27-28-22)15-1-2-15/h3-6,11-13,15H,1-2,7-10,14H2,(H,26,30)(H,27,28)
InChIKeyDZOWTMOKXUXLOP-UHFFFAOYSA-N
XLogP3.49
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.00
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-N-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide
CID 169121936
4-chloro-3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-pent-4-en-2-ylbenzamide
CID 169122016
4-[2-chloro-5-(cyclopropanecarbonylamino)phenyl]-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]benzamide
CID 71588888
N-[4-[5-[2-(cyclohexylamino)-2-oxoethyl]-1H-1,2,4-triazol-3-yl]phenyl]-3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide
CID 154851777
N-[4-chloro-3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]quinoline-6-carboxamide
CID 72703844
N-[6-[5-[(3,4-dihydroxybenzoyl)amino]-2-pyridinyl]-3-pyridinyl]-3,4-dihydroxybenzamide
CID 136814357
6-(4-fluorophenyl)-N-[6-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]naphthalen-2-yl]pyridine-3-carboxamide
CID 22340506
N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-4-methoxybenzamide
CID 2811596
4-chloro-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]naphthalen-1-yl]benzamide
CID 156853752
N-[4-[5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-1H-1,2,4-triazol-3-yl]phenyl]-3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide
CID 167749307
5-cyclopropyl-N-[4-(4-ethylpiperazin-1-yl)phenyl]-1H-pyrazole-3-carboxamide
CID 37043755
4-tert-butyl-N-[6-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]benzamide
CID 46053761

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[6-(5-cyclopropyl-1H-pyrazol-3-yl)-3-pyridinyl]-3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide?
The IUPAC name of 4-chloro-N-[6-(5-cyclopropyl-1H-pyrazol-3-yl)-3-pyridinyl]-3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide (CID 169121992) is 4-chloro-N-[6-(5-cyclopropyl-1H-pyrazol-3-yl)-3-pyridinyl]-3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[6-(5-cyclopropyl-1H-pyrazol-3-yl)-3-pyridinyl]-3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide?
The canonical SMILES for 4-chloro-N-[6-(5-cyclopropyl-1H-pyrazol-3-yl)-3-pyridinyl]-3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide is O=C(Nc1ccc(-c2cc(C3CC3)[nH]n2)nc1)c1ccc(Cl)c(CN2CCS(=O)(=O)CC2)c1.
What is the InChIKey of 4-chloro-N-[6-(5-cyclopropyl-1H-pyrazol-3-yl)-3-pyridinyl]-3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide?
The InChIKey is DZOWTMOKXUXLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O3S/c24-19-5-3-16(11-17(19)14-29-7-9-33(31,32)10-8-29)23(30)26-18-4-6-20(25-13-18)22-12-21(27-28-22)15-1-2-15/h3-6,11-13,15H,1-2,7-10,14H2,(H,26,30)(H,27,28).
What are the key properties of 4-chloro-N-[6-(5-cyclopropyl-1H-pyrazol-3-yl)-3-pyridinyl]-3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide?
4-chloro-N-[6-(5-cyclopropyl-1H-pyrazol-3-yl)-3-pyridinyl]-3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide has a molecular weight of 486.00 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[6-(5-cyclopropyl-1H-pyrazol-3-yl)-3-pyridinyl]-3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide is sourced from PubChem (CID 169121992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).