4-[4-[6-amino-5-(1,3-benzothiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpiperidine-1-carboxamide

C23H25N7OS — CID 67520316

IUPAC4-[4-[6-amino-5-(1,3-benzothiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(n2cc(-c3cnc(N)c(-c4nc5ccccc5s4)c3)cn2)CC1
InChIInChI=1S/C23H25N7OS/c1-28(2)23(31)29-9-7-17(8-10-29)30-14-16(13-26-30)15-11-18(21(24)25-12-15)22-27-19-5-3-4-6-20(19)32-22/h3-6,11-14,17H,7-10H2,1-2H3,(H2,24,25)
InChIKeyKRFQGFQJLUTXJY-UHFFFAOYSA-N
MW447.57 g/mol
LogP4.12
Rot. Bonds3

About 4-[4-[6-amino-5-(1,3-benzothiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpiperidine-1-carboxamide

4-[4-[6-amino-5-(1,3-benzothiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 67520316) has the molecular formula C23H25N7OS and a molecular weight of 447.57 g/mol. Its IUPAC name is 4-[4-[6-amino-5-(1,3-benzothiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[4-[6-amino-5-(1,3-benzothiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpiperidine-1-carboxamide
PubChem CID67520316
Molecular FormulaC23H25N7OS
Molecular Weight447.57 g/mol
Exact Mass447.18
IUPAC Name4-[4-[6-amino-5-(1,3-benzothiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(n2cc(-c3cnc(N)c(-c4nc5ccccc5s4)c3)cn2)CC1
InChIInChI=1S/C23H25N7OS/c1-28(2)23(31)29-9-7-17(8-10-29)30-14-16(13-26-30)15-11-18(21(24)25-12-15)22-27-19-5-3-4-6-20(19)32-22/h3-6,11-14,17H,7-10H2,1-2H3,(H2,24,25)
InChIKeyKRFQGFQJLUTXJY-UHFFFAOYSA-N
XLogP4.12
TPSA93.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.57
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-amino-5-(1,3-benzothiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpiperidine-1-carboxamide?
The IUPAC name of 4-[4-[6-amino-5-(1,3-benzothiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpiperidine-1-carboxamide (CID 67520316) is 4-[4-[6-amino-5-(1,3-benzothiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[4-[6-amino-5-(1,3-benzothiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpiperidine-1-carboxamide?
The canonical SMILES for 4-[4-[6-amino-5-(1,3-benzothiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpiperidine-1-carboxamide is CN(C)C(=O)N1CCC(n2cc(-c3cnc(N)c(-c4nc5ccccc5s4)c3)cn2)CC1.
What is the InChIKey of 4-[4-[6-amino-5-(1,3-benzothiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpiperidine-1-carboxamide?
The InChIKey is KRFQGFQJLUTXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7OS/c1-28(2)23(31)29-9-7-17(8-10-29)30-14-16(13-26-30)15-11-18(21(24)25-12-15)22-27-19-5-3-4-6-20(19)32-22/h3-6,11-14,17H,7-10H2,1-2H3,(H2,24,25).
What are the key properties of 4-[4-[6-amino-5-(1,3-benzothiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpiperidine-1-carboxamide?
4-[4-[6-amino-5-(1,3-benzothiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 447.57 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-amino-5-(1,3-benzothiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 67520316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).