4-(azetidine-1-carbonyl)-N-[2-[2-(2-ethyl-4-pyridinyl)-5-methyl-1,3-thiazol-4-yl]ethyl]-1-methylpyrazole-5-carboxamide

C22H26N6O2S — CID 71288712

IUPAC4-(azetidine-1-carbonyl)-N-[2-[2-(2-ethyl-4-pyridinyl)-5-methyl-1,3-thiazol-4-yl]ethyl]-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(-c2nc(CCNC(=O)c3c(C(=O)N4CCC4)cnn3C)c(C)s2)ccn1
InChIInChI=1S/C22H26N6O2S/c1-4-16-12-15(6-8-23-16)21-26-18(14(2)31-21)7-9-24-20(29)19-17(13-25-27(19)3)22(30)28-10-5-11-28/h6,8,12-13H,4-5,7,9-11H2,1-3H3,(H,24,29)
InChIKeyDPQGKYJRBLQSBS-UHFFFAOYSA-N
MW438.56 g/mol
LogP2.63
Rot. Bonds7

About 4-(azetidine-1-carbonyl)-N-[2-[2-(2-ethyl-4-pyridinyl)-5-methyl-1,3-thiazol-4-yl]ethyl]-1-methylpyrazole-5-carboxamide

4-(azetidine-1-carbonyl)-N-[2-[2-(2-ethyl-4-pyridinyl)-5-methyl-1,3-thiazol-4-yl]ethyl]-1-methylpyrazole-5-carboxamide (PubChem CID 71288712) has the molecular formula C22H26N6O2S and a molecular weight of 438.56 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-N-[2-[2-(2-ethyl-4-pyridinyl)-5-methyl-1,3-thiazol-4-yl]ethyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-N-[2-[2-(2-ethyl-4-pyridinyl)-5-methyl-1,3-thiazol-4-yl]ethyl]-1-methylpyrazole-5-carboxamide
PubChem CID71288712
Molecular FormulaC22H26N6O2S
Molecular Weight438.56 g/mol
Exact Mass438.18
IUPAC Name4-(azetidine-1-carbonyl)-N-[2-[2-(2-ethyl-4-pyridinyl)-5-methyl-1,3-thiazol-4-yl]ethyl]-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(-c2nc(CCNC(=O)c3c(C(=O)N4CCC4)cnn3C)c(C)s2)ccn1
InChIInChI=1S/C22H26N6O2S/c1-4-16-12-15(6-8-23-16)21-26-18(14(2)31-21)7-9-24-20(29)19-17(13-25-27(19)3)22(30)28-10-5-11-28/h6,8,12-13H,4-5,7,9-11H2,1-3H3,(H,24,29)
InChIKeyDPQGKYJRBLQSBS-UHFFFAOYSA-N
XLogP2.63
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.56
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(azetidine-1-carbonyl)-N-[2-[2-(2-ethyl-4-pyridinyl)-5-methyl-1,3-thiazol-4-yl]ethyl]-1-methylpyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(azetidine-1-carbonyl)-1-methyl-N-(2-phenyl-1,3-benzothiazol-5-yl)pyrazole-5-carboxamide
CID 165414909
4-(azetidine-1-carbonyl)-1-methyl-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]pyrazole-5-carboxamide
CID 71505323
5-amino-3,4-dimethyl-N-[1-(pyridine-2-carbonyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide
CID 89777274
US9586948, Example 22
CID 117872182
US9617282, Example 47
CID 118641177
US9617282, Example 95
CID 118641364
10-(2-Morpholin-4-ylethyl)-17-oxa-3-thia-7,10,11,14,21,25-hexazatetracyclo[18.3.1.12,5.08,12]pentacosa-1(24),2(25),4,8,11,20,22-heptaene-6,13-dione
CID 118719446
4-(azetidine-1-carbonyl)-1-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-5-yl)pyrazole-5-carboxamide
CID 165415252
N-Ethyl-5-[4-methyl-2-(3-pyridinyl)-5-thiazolyl]-1H-pyrazole-3-carboxamide
CID 46889160
N-ethyl-5-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxamide
CID 46889199
N-ethyl-5-[4-[(2S)-piperidin-2-yl]-2-pyridin-3-yl-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide
CID 46889200
N-ethyl-5-[2-pyridin-3-yl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide
CID 46889202

Frequently Asked Questions

What is the IUPAC name of 4-(azetidine-1-carbonyl)-N-[2-[2-(2-ethyl-4-pyridinyl)-5-methyl-1,3-thiazol-4-yl]ethyl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-(azetidine-1-carbonyl)-N-[2-[2-(2-ethyl-4-pyridinyl)-5-methyl-1,3-thiazol-4-yl]ethyl]-1-methylpyrazole-5-carboxamide (CID 71288712) is 4-(azetidine-1-carbonyl)-N-[2-[2-(2-ethyl-4-pyridinyl)-5-methyl-1,3-thiazol-4-yl]ethyl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-(azetidine-1-carbonyl)-N-[2-[2-(2-ethyl-4-pyridinyl)-5-methyl-1,3-thiazol-4-yl]ethyl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-(azetidine-1-carbonyl)-N-[2-[2-(2-ethyl-4-pyridinyl)-5-methyl-1,3-thiazol-4-yl]ethyl]-1-methylpyrazole-5-carboxamide is CCc1cc(-c2nc(CCNC(=O)c3c(C(=O)N4CCC4)cnn3C)c(C)s2)ccn1.
What is the InChIKey of 4-(azetidine-1-carbonyl)-N-[2-[2-(2-ethyl-4-pyridinyl)-5-methyl-1,3-thiazol-4-yl]ethyl]-1-methylpyrazole-5-carboxamide?
The InChIKey is DPQGKYJRBLQSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2S/c1-4-16-12-15(6-8-23-16)21-26-18(14(2)31-21)7-9-24-20(29)19-17(13-25-27(19)3)22(30)28-10-5-11-28/h6,8,12-13H,4-5,7,9-11H2,1-3H3,(H,24,29).
What are the key properties of 4-(azetidine-1-carbonyl)-N-[2-[2-(2-ethyl-4-pyridinyl)-5-methyl-1,3-thiazol-4-yl]ethyl]-1-methylpyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-N-[2-[2-(2-ethyl-4-pyridinyl)-5-methyl-1,3-thiazol-4-yl]ethyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 438.56 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidine-1-carbonyl)-N-[2-[2-(2-ethyl-4-pyridinyl)-5-methyl-1,3-thiazol-4-yl]ethyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 71288712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).