N-cyclohexyl-6-[(6-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl)methyl]-1,3-benzothiazol-2-amine

C23H23N7S — CID 123235378

IUPACN-cyclohexyl-6-[(6-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl)methyl]-1,3-benzothiazol-2-amine
SMILESc1cnn(-c2cnc3c(c2)ncn3Cc2ccc3nc(NC4CCCCC4)sc3c2)c1
InChIInChI=1S/C23H23N7S/c1-2-5-17(6-3-1)27-23-28-19-8-7-16(11-21(19)31-23)14-29-15-25-20-12-18(13-24-22(20)29)30-10-4-9-26-30/h4,7-13,15,17H,1-3,5-6,14H2,(H,27,28)
InChIKeyLDUIVZNLJNUPBG-UHFFFAOYSA-N
MW429.55 g/mol
LogP5.02
Rot. Bonds5

About N-cyclohexyl-6-[(6-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl)methyl]-1,3-benzothiazol-2-amine

N-cyclohexyl-6-[(6-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl)methyl]-1,3-benzothiazol-2-amine (PubChem CID 123235378) has the molecular formula C23H23N7S and a molecular weight of 429.55 g/mol. Its IUPAC name is N-cyclohexyl-6-[(6-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl)methyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-6-[(6-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl)methyl]-1,3-benzothiazol-2-amine
PubChem CID123235378
Molecular FormulaC23H23N7S
Molecular Weight429.55 g/mol
Exact Mass429.17
IUPAC NameN-cyclohexyl-6-[(6-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl)methyl]-1,3-benzothiazol-2-amine
SMILESc1cnn(-c2cnc3c(c2)ncn3Cc2ccc3nc(NC4CCCCC4)sc3c2)c1
InChIInChI=1S/C23H23N7S/c1-2-5-17(6-3-1)27-23-28-19-8-7-16(11-21(19)31-23)14-29-15-25-20-12-18(13-24-22(20)29)30-10-4-9-26-30/h4,7-13,15,17H,1-3,5-6,14H2,(H,27,28)
InChIKeyLDUIVZNLJNUPBG-UHFFFAOYSA-N
XLogP5.02
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.55
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-[(6-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl)methyl]-1,3-benzothiazol-2-amine?
The IUPAC name of N-cyclohexyl-6-[(6-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl)methyl]-1,3-benzothiazol-2-amine (CID 123235378) is N-cyclohexyl-6-[(6-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl)methyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-cyclohexyl-6-[(6-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl)methyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for N-cyclohexyl-6-[(6-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl)methyl]-1,3-benzothiazol-2-amine is c1cnn(-c2cnc3c(c2)ncn3Cc2ccc3nc(NC4CCCCC4)sc3c2)c1.
What is the InChIKey of N-cyclohexyl-6-[(6-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl)methyl]-1,3-benzothiazol-2-amine?
The InChIKey is LDUIVZNLJNUPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7S/c1-2-5-17(6-3-1)27-23-28-19-8-7-16(11-21(19)31-23)14-29-15-25-20-12-18(13-24-22(20)29)30-10-4-9-26-30/h4,7-13,15,17H,1-3,5-6,14H2,(H,27,28).
What are the key properties of N-cyclohexyl-6-[(6-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl)methyl]-1,3-benzothiazol-2-amine?
N-cyclohexyl-6-[(6-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl)methyl]-1,3-benzothiazol-2-amine has a molecular weight of 429.55 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-[(6-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl)methyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 123235378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).