N-[1-[2-[(1,5-dimethylpyrazol-3-yl)amino]-1,3-oxazol-5-yl]piperidin-3-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide

C23H30N6O2S — CID 75182888

IUPACN-[1-[2-[(1,5-dimethylpyrazol-3-yl)amino]-1,3-oxazol-5-yl]piperidin-3-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
SMILESCc1cc(Nc2ncc(N3CCCC(NC(=O)c4cc5c(s4)CCCCC5)C3)o2)nn1C
InChIInChI=1S/C23H30N6O2S/c1-15-11-20(27-28(15)2)26-23-24-13-21(31-23)29-10-6-8-17(14-29)25-22(30)19-12-16-7-4-3-5-9-18(16)32-19/h11-13,17H,3-10,14H2,1-2H3,(H,25,30)(H,24,26,27)
InChIKeyLNFDPQNLPSMKPK-UHFFFAOYSA-N
MW454.60 g/mol
LogP4.19
Rot. Bonds5

About N-[1-[2-[(1,5-dimethylpyrazol-3-yl)amino]-1,3-oxazol-5-yl]piperidin-3-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide

N-[1-[2-[(1,5-dimethylpyrazol-3-yl)amino]-1,3-oxazol-5-yl]piperidin-3-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide (PubChem CID 75182888) has the molecular formula C23H30N6O2S and a molecular weight of 454.60 g/mol. Its IUPAC name is N-[1-[2-[(1,5-dimethylpyrazol-3-yl)amino]-1,3-oxazol-5-yl]piperidin-3-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-[(1,5-dimethylpyrazol-3-yl)amino]-1,3-oxazol-5-yl]piperidin-3-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
PubChem CID75182888
Molecular FormulaC23H30N6O2S
Molecular Weight454.60 g/mol
Exact Mass454.22
IUPAC NameN-[1-[2-[(1,5-dimethylpyrazol-3-yl)amino]-1,3-oxazol-5-yl]piperidin-3-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
SMILESCc1cc(Nc2ncc(N3CCCC(NC(=O)c4cc5c(s4)CCCCC5)C3)o2)nn1C
InChIInChI=1S/C23H30N6O2S/c1-15-11-20(27-28(15)2)26-23-24-13-21(31-23)29-10-6-8-17(14-29)25-22(30)19-12-16-7-4-3-5-9-18(16)32-19/h11-13,17H,3-10,14H2,1-2H3,(H,25,30)(H,24,26,27)
InChIKeyLNFDPQNLPSMKPK-UHFFFAOYSA-N
XLogP4.19
TPSA88.22 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.60
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[1-[2-[(1,5-dimethylpyrazol-3-yl)amino]-1,3-oxazol-5-yl]piperidin-3-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[(1,5-dimethylpyrazol-3-yl)amino]-1,3-oxazol-5-yl]piperidin-3-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide?
The IUPAC name of N-[1-[2-[(1,5-dimethylpyrazol-3-yl)amino]-1,3-oxazol-5-yl]piperidin-3-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide (CID 75182888) is N-[1-[2-[(1,5-dimethylpyrazol-3-yl)amino]-1,3-oxazol-5-yl]piperidin-3-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[2-[(1,5-dimethylpyrazol-3-yl)amino]-1,3-oxazol-5-yl]piperidin-3-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[2-[(1,5-dimethylpyrazol-3-yl)amino]-1,3-oxazol-5-yl]piperidin-3-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide is Cc1cc(Nc2ncc(N3CCCC(NC(=O)c4cc5c(s4)CCCCC5)C3)o2)nn1C.
What is the InChIKey of N-[1-[2-[(1,5-dimethylpyrazol-3-yl)amino]-1,3-oxazol-5-yl]piperidin-3-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide?
The InChIKey is LNFDPQNLPSMKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O2S/c1-15-11-20(27-28(15)2)26-23-24-13-21(31-23)29-10-6-8-17(14-29)25-22(30)19-12-16-7-4-3-5-9-18(16)32-19/h11-13,17H,3-10,14H2,1-2H3,(H,25,30)(H,24,26,27).
What are the key properties of N-[1-[2-[(1,5-dimethylpyrazol-3-yl)amino]-1,3-oxazol-5-yl]piperidin-3-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide?
N-[1-[2-[(1,5-dimethylpyrazol-3-yl)amino]-1,3-oxazol-5-yl]piperidin-3-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide has a molecular weight of 454.60 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[(1,5-dimethylpyrazol-3-yl)amino]-1,3-oxazol-5-yl]piperidin-3-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide is sourced from PubChem (CID 75182888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).