5-(3-chloro-2-pyridinyl)-N-[1-[(Z)-1-(1,1-dioxo-1,4-thiazinan-4-yl)but-2-en-2-yl]sulfanylethenyl]-1H-indazol-3-amine

C22H24ClN5O2S2 — CID 67490003

IUPAC5-(3-chloro-2-pyridinyl)-N-[1-[(Z)-1-(1,1-dioxo-1,4-thiazinan-4-yl)but-2-en-2-yl]sulfanylethenyl]-1H-indazol-3-amine
SMILESC=C(Nc1n[nH]c2ccc(-c3ncccc3Cl)cc12)S/C(=C\C)CN1CCS(=O)(=O)CC1
InChIInChI=1S/C22H24ClN5O2S2/c1-3-17(14-28-9-11-32(29,30)12-10-28)31-15(2)25-22-18-13-16(6-7-20(18)26-27-22)21-19(23)5-4-8-24-21/h3-8,13H,2,9-12,14H2,1H3,(H2,25,26,27)/b17-3-
InChIKeyVQXAZTYKJLOHEY-YPEHOIGNSA-N
MW490.05 g/mol
LogP4.53
Rot. Bonds7

About 5-(3-chloro-2-pyridinyl)-N-[1-[(Z)-1-(1,1-dioxo-1,4-thiazinan-4-yl)but-2-en-2-yl]sulfanylethenyl]-1H-indazol-3-amine

5-(3-chloro-2-pyridinyl)-N-[1-[(Z)-1-(1,1-dioxo-1,4-thiazinan-4-yl)but-2-en-2-yl]sulfanylethenyl]-1H-indazol-3-amine (PubChem CID 67490003) has the molecular formula C22H24ClN5O2S2 and a molecular weight of 490.05 g/mol. Its IUPAC name is 5-(3-chloro-2-pyridinyl)-N-[1-[(Z)-1-(1,1-dioxo-1,4-thiazinan-4-yl)but-2-en-2-yl]sulfanylethenyl]-1H-indazol-3-amine.

Molecular Properties

Compound Name5-(3-chloro-2-pyridinyl)-N-[1-[(Z)-1-(1,1-dioxo-1,4-thiazinan-4-yl)but-2-en-2-yl]sulfanylethenyl]-1H-indazol-3-amine
PubChem CID67490003
Molecular FormulaC22H24ClN5O2S2
Molecular Weight490.05 g/mol
Exact Mass489.11
IUPAC Name5-(3-chloro-2-pyridinyl)-N-[1-[(Z)-1-(1,1-dioxo-1,4-thiazinan-4-yl)but-2-en-2-yl]sulfanylethenyl]-1H-indazol-3-amine
SMILESC=C(Nc1n[nH]c2ccc(-c3ncccc3Cl)cc12)S/C(=C\C)CN1CCS(=O)(=O)CC1
InChIInChI=1S/C22H24ClN5O2S2/c1-3-17(14-28-9-11-32(29,30)12-10-28)31-15(2)25-22-18-13-16(6-7-20(18)26-27-22)21-19(23)5-4-8-24-21/h3-8,13H,2,9-12,14H2,1H3,(H2,25,26,27)/b17-3-
InChIKeyVQXAZTYKJLOHEY-YPEHOIGNSA-N
XLogP4.53
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.05
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-(3-chloro-2-pyridinyl)-N-[1-[(Z)-1-(1,1-dioxo-1,4-thiazinan-4-yl)but-2-en-2-yl]sulfanylethenyl]-1H-indazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2-pyridinyl)-N-[1-[(Z)-1-(1,1-dioxo-1,4-thiazinan-4-yl)but-2-en-2-yl]sulfanylethenyl]-1H-indazol-3-amine?
The IUPAC name of 5-(3-chloro-2-pyridinyl)-N-[1-[(Z)-1-(1,1-dioxo-1,4-thiazinan-4-yl)but-2-en-2-yl]sulfanylethenyl]-1H-indazol-3-amine (CID 67490003) is 5-(3-chloro-2-pyridinyl)-N-[1-[(Z)-1-(1,1-dioxo-1,4-thiazinan-4-yl)but-2-en-2-yl]sulfanylethenyl]-1H-indazol-3-amine.
What is the SMILES notation for 5-(3-chloro-2-pyridinyl)-N-[1-[(Z)-1-(1,1-dioxo-1,4-thiazinan-4-yl)but-2-en-2-yl]sulfanylethenyl]-1H-indazol-3-amine?
The canonical SMILES for 5-(3-chloro-2-pyridinyl)-N-[1-[(Z)-1-(1,1-dioxo-1,4-thiazinan-4-yl)but-2-en-2-yl]sulfanylethenyl]-1H-indazol-3-amine is C=C(Nc1n[nH]c2ccc(-c3ncccc3Cl)cc12)S/C(=C\C)CN1CCS(=O)(=O)CC1.
What is the InChIKey of 5-(3-chloro-2-pyridinyl)-N-[1-[(Z)-1-(1,1-dioxo-1,4-thiazinan-4-yl)but-2-en-2-yl]sulfanylethenyl]-1H-indazol-3-amine?
The InChIKey is VQXAZTYKJLOHEY-YPEHOIGNSA-N. The full InChI is InChI=1S/C22H24ClN5O2S2/c1-3-17(14-28-9-11-32(29,30)12-10-28)31-15(2)25-22-18-13-16(6-7-20(18)26-27-22)21-19(23)5-4-8-24-21/h3-8,13H,2,9-12,14H2,1H3,(H2,25,26,27)/b17-3-.
What are the key properties of 5-(3-chloro-2-pyridinyl)-N-[1-[(Z)-1-(1,1-dioxo-1,4-thiazinan-4-yl)but-2-en-2-yl]sulfanylethenyl]-1H-indazol-3-amine?
5-(3-chloro-2-pyridinyl)-N-[1-[(Z)-1-(1,1-dioxo-1,4-thiazinan-4-yl)but-2-en-2-yl]sulfanylethenyl]-1H-indazol-3-amine has a molecular weight of 490.05 g/mol, XLogP of 4.53, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-2-pyridinyl)-N-[1-[(Z)-1-(1,1-dioxo-1,4-thiazinan-4-yl)but-2-en-2-yl]sulfanylethenyl]-1H-indazol-3-amine is sourced from PubChem (CID 67490003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).