N-[4-(4-methylsulfonylazepan-1-yl)-2-pyridinyl]-5-pyridazin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine

C22H23N7O2S2 — CID 135295325

IUPACN-[4-(4-methylsulfonylazepan-1-yl)-2-pyridinyl]-5-pyridazin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESCS(=O)(=O)C1CCCN(c2ccnc(Nc3nc4ccc(-c5ccnnc5)nc4s3)c2)CC1
InChIInChI=1S/C22H23N7O2S2/c1-33(30,31)17-3-2-11-29(12-8-17)16-7-9-23-20(13-16)28-22-27-19-5-4-18(26-21(19)32-22)15-6-10-24-25-14-15/h4-7,9-10,13-14,17H,2-3,8,11-12H2,1H3,(H,23,27,28)
InChIKeyQUZBGPSSVYUXNO-UHFFFAOYSA-N
MW481.61 g/mol
LogP3.69
Rot. Bonds5

About N-[4-(4-methylsulfonylazepan-1-yl)-2-pyridinyl]-5-pyridazin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine

N-[4-(4-methylsulfonylazepan-1-yl)-2-pyridinyl]-5-pyridazin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine (PubChem CID 135295325) has the molecular formula C22H23N7O2S2 and a molecular weight of 481.61 g/mol. Its IUPAC name is N-[4-(4-methylsulfonylazepan-1-yl)-2-pyridinyl]-5-pyridazin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine.

Molecular Properties

Compound NameN-[4-(4-methylsulfonylazepan-1-yl)-2-pyridinyl]-5-pyridazin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine
PubChem CID135295325
Molecular FormulaC22H23N7O2S2
Molecular Weight481.61 g/mol
Exact Mass481.14
IUPAC NameN-[4-(4-methylsulfonylazepan-1-yl)-2-pyridinyl]-5-pyridazin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESCS(=O)(=O)C1CCCN(c2ccnc(Nc3nc4ccc(-c5ccnnc5)nc4s3)c2)CC1
InChIInChI=1S/C22H23N7O2S2/c1-33(30,31)17-3-2-11-29(12-8-17)16-7-9-23-20(13-16)28-22-27-19-5-4-18(26-21(19)32-22)15-6-10-24-25-14-15/h4-7,9-10,13-14,17H,2-3,8,11-12H2,1H3,(H,23,27,28)
InChIKeyQUZBGPSSVYUXNO-UHFFFAOYSA-N
XLogP3.69
TPSA113.86 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.61
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

N-[4-(4-methylsulfinylpiperazin-1-yl)-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine
CID 134422625
2-propan-2-yloxy-1-[4-[2-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone
CID 87944549
5-pyridin-4-yl-N-[4-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine
CID 87944732
N-(4-piperazin-1-yl-2-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine
CID 87945651
N-[4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine
CID 87945605
N-[4-(4-benzylpiperazin-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine
CID 87945561
N-(4-cyclopentyloxy-2-pyridinyl)-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine
CID 87944575
N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-(2-phenyl-4-pyridinyl)-1,3-thiazol-2-amine
CID 24831962
N,N-dimethyl-4-[2-[(5-pyrimidin-5-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]piperazine-1-sulfonamide
CID 15979014
2-methoxy-1-[4-[2-[[6-(5-methyl-1H-pyrazol-4-yl)-1,3-benzothiazol-2-yl]amino]-4-pyridinyl]-1,4-diazepan-1-yl]ethanone
CID 134422757
6-(5-methyl-1H-pyrazol-4-yl)-N-[4-(4-methylsulfinylpiperazin-1-yl)-2-pyridinyl]-1,3-benzothiazol-2-amine
CID 134422602
N-[4-(propan-2-yloxymethyl)-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine
CID 87944735

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylsulfonylazepan-1-yl)-2-pyridinyl]-5-pyridazin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The IUPAC name of N-[4-(4-methylsulfonylazepan-1-yl)-2-pyridinyl]-5-pyridazin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine (CID 135295325) is N-[4-(4-methylsulfonylazepan-1-yl)-2-pyridinyl]-5-pyridazin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine.
What is the SMILES notation for N-[4-(4-methylsulfonylazepan-1-yl)-2-pyridinyl]-5-pyridazin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The canonical SMILES for N-[4-(4-methylsulfonylazepan-1-yl)-2-pyridinyl]-5-pyridazin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine is CS(=O)(=O)C1CCCN(c2ccnc(Nc3nc4ccc(-c5ccnnc5)nc4s3)c2)CC1.
What is the InChIKey of N-[4-(4-methylsulfonylazepan-1-yl)-2-pyridinyl]-5-pyridazin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The InChIKey is QUZBGPSSVYUXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O2S2/c1-33(30,31)17-3-2-11-29(12-8-17)16-7-9-23-20(13-16)28-22-27-19-5-4-18(26-21(19)32-22)15-6-10-24-25-14-15/h4-7,9-10,13-14,17H,2-3,8,11-12H2,1H3,(H,23,27,28).
What are the key properties of N-[4-(4-methylsulfonylazepan-1-yl)-2-pyridinyl]-5-pyridazin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine?
N-[4-(4-methylsulfonylazepan-1-yl)-2-pyridinyl]-5-pyridazin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine has a molecular weight of 481.61 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylsulfonylazepan-1-yl)-2-pyridinyl]-5-pyridazin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine is sourced from PubChem (CID 135295325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).