cyclopropyl-[4-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzothiazol-3-yl]piperidin-1-yl]methanone

C22H22N6OS — CID 122419153

IUPACcyclopropyl-[4-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzothiazol-3-yl]piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(c2nsc3cc(Nc4n[nH]c5cccnc45)ccc23)CC1
InChIInChI=1S/C22H22N6OS/c29-22(14-3-4-14)28-10-7-13(8-11-28)19-16-6-5-15(12-18(16)30-27-19)24-21-20-17(25-26-21)2-1-9-23-20/h1-2,5-6,9,12-14H,3-4,7-8,10-11H2,(H2,24,25,26)
InChIKeyQIFRHKLNUQIHEG-UHFFFAOYSA-N
MW418.53 g/mol
LogP4.43
Rot. Bonds4

About cyclopropyl-[4-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzothiazol-3-yl]piperidin-1-yl]methanone

cyclopropyl-[4-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzothiazol-3-yl]piperidin-1-yl]methanone (PubChem CID 122419153) has the molecular formula C22H22N6OS and a molecular weight of 418.53 g/mol. Its IUPAC name is cyclopropyl-[4-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzothiazol-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzothiazol-3-yl]piperidin-1-yl]methanone
PubChem CID122419153
Molecular FormulaC22H22N6OS
Molecular Weight418.53 g/mol
Exact Mass418.16
IUPAC Namecyclopropyl-[4-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzothiazol-3-yl]piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(c2nsc3cc(Nc4n[nH]c5cccnc45)ccc23)CC1
InChIInChI=1S/C22H22N6OS/c29-22(14-3-4-14)28-10-7-13(8-11-28)19-16-6-5-15(12-18(16)30-27-19)24-21-20-17(25-26-21)2-1-9-23-20/h1-2,5-6,9,12-14H,3-4,7-8,10-11H2,(H2,24,25,26)
InChIKeyQIFRHKLNUQIHEG-UHFFFAOYSA-N
XLogP4.43
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.53
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze cyclopropyl-[4-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzothiazol-3-yl]piperidin-1-yl]methanone 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 cyclopropyl-[4-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzothiazol-3-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzothiazol-3-yl]piperidin-1-yl]methanone (CID 122419153) is cyclopropyl-[4-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzothiazol-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzothiazol-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzothiazol-3-yl]piperidin-1-yl]methanone is O=C(C1CC1)N1CCC(c2nsc3cc(Nc4n[nH]c5cccnc45)ccc23)CC1.
What is the InChIKey of cyclopropyl-[4-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzothiazol-3-yl]piperidin-1-yl]methanone?
The InChIKey is QIFRHKLNUQIHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6OS/c29-22(14-3-4-14)28-10-7-13(8-11-28)19-16-6-5-15(12-18(16)30-27-19)24-21-20-17(25-26-21)2-1-9-23-20/h1-2,5-6,9,12-14H,3-4,7-8,10-11H2,(H2,24,25,26).
What are the key properties of cyclopropyl-[4-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzothiazol-3-yl]piperidin-1-yl]methanone?
cyclopropyl-[4-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzothiazol-3-yl]piperidin-1-yl]methanone has a molecular weight of 418.53 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzothiazol-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 122419153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).