N-[4-[2-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclobutanecarboxamide

C24H31N7O2S — CID 162454411

IUPACN-[4-[2-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclobutanecarboxamide
SMILESCn1nc(C(C)(C)C)cc1NC(=O)Nc1ncc(CCc2ccnc(NC(=O)C3CCC3)c2)s1
InChIInChI=1S/C24H31N7O2S/c1-24(2,3)18-13-20(31(4)30-18)28-22(33)29-23-26-14-17(34-23)9-8-15-10-11-25-19(12-15)27-21(32)16-6-5-7-16/h10-14,16H,5-9H2,1-4H3,(H,25,27,32)(H2,26,28,29,33)
InChIKeyOALZNVUXEOHKJA-UHFFFAOYSA-N
MW481.63 g/mol
LogP4.74
Rot. Bonds7

About N-[4-[2-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclobutanecarboxamide

N-[4-[2-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclobutanecarboxamide (PubChem CID 162454411) has the molecular formula C24H31N7O2S and a molecular weight of 481.63 g/mol. Its IUPAC name is N-[4-[2-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclobutanecarboxamide
PubChem CID162454411
Molecular FormulaC24H31N7O2S
Molecular Weight481.63 g/mol
Exact Mass481.23
IUPAC NameN-[4-[2-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclobutanecarboxamide
SMILESCn1nc(C(C)(C)C)cc1NC(=O)Nc1ncc(CCc2ccnc(NC(=O)C3CCC3)c2)s1
InChIInChI=1S/C24H31N7O2S/c1-24(2,3)18-13-20(31(4)30-18)28-22(33)29-23-26-14-17(34-23)9-8-15-10-11-25-19(12-15)27-21(32)16-6-5-7-16/h10-14,16H,5-9H2,1-4H3,(H,25,27,32)(H2,26,28,29,33)
InChIKeyOALZNVUXEOHKJA-UHFFFAOYSA-N
XLogP4.74
TPSA113.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.63
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[4-[2-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclobutanecarboxamide 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 N-[4-[2-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclobutanecarboxamide?
The IUPAC name of N-[4-[2-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclobutanecarboxamide (CID 162454411) is N-[4-[2-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[4-[2-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclobutanecarboxamide?
The canonical SMILES for N-[4-[2-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclobutanecarboxamide is Cn1nc(C(C)(C)C)cc1NC(=O)Nc1ncc(CCc2ccnc(NC(=O)C3CCC3)c2)s1.
What is the InChIKey of N-[4-[2-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclobutanecarboxamide?
The InChIKey is OALZNVUXEOHKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7O2S/c1-24(2,3)18-13-20(31(4)30-18)28-22(33)29-23-26-14-17(34-23)9-8-15-10-11-25-19(12-15)27-21(32)16-6-5-7-16/h10-14,16H,5-9H2,1-4H3,(H,25,27,32)(H2,26,28,29,33).
What are the key properties of N-[4-[2-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclobutanecarboxamide?
N-[4-[2-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclobutanecarboxamide has a molecular weight of 481.63 g/mol, XLogP of 4.74, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclobutanecarboxamide is sourced from PubChem (CID 162454411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).