tert-butyl (3R)-3-[3-[6-[(3-methoxy-1-methylpyrazole-4-carbonyl)amino]-2-pyridinyl]-1,2,4-triazol-4-yl]pyrrolidine-1-carboxylate

C22H28N8O4 — CID 146381806

IUPACtert-butyl (3R)-3-[3-[6-[(3-methoxy-1-methylpyrazole-4-carbonyl)amino]-2-pyridinyl]-1,2,4-triazol-4-yl]pyrrolidine-1-carboxylate
SMILESCOc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2[C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1
InChIInChI=1S/C22H28N8O4/c1-22(2,3)34-21(32)29-10-9-14(11-29)30-13-23-26-18(30)16-7-6-8-17(24-16)25-19(31)15-12-28(4)27-20(15)33-5/h6-8,12-14H,9-11H2,1-5H3,(H,24,25,31)/t14-/m1/s1
InChIKeyZZVKNUGOAWRDEZ-CQSZACIVSA-N
MW468.52 g/mol
LogP2.52
Rot. Bonds5

About tert-butyl (3R)-3-[3-[6-[(3-methoxy-1-methylpyrazole-4-carbonyl)amino]-2-pyridinyl]-1,2,4-triazol-4-yl]pyrrolidine-1-carboxylate

tert-butyl (3R)-3-[3-[6-[(3-methoxy-1-methylpyrazole-4-carbonyl)amino]-2-pyridinyl]-1,2,4-triazol-4-yl]pyrrolidine-1-carboxylate (PubChem CID 146381806) has the molecular formula C22H28N8O4 and a molecular weight of 468.52 g/mol. Its IUPAC name is tert-butyl (3R)-3-[3-[6-[(3-methoxy-1-methylpyrazole-4-carbonyl)amino]-2-pyridinyl]-1,2,4-triazol-4-yl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[3-[6-[(3-methoxy-1-methylpyrazole-4-carbonyl)amino]-2-pyridinyl]-1,2,4-triazol-4-yl]pyrrolidine-1-carboxylate
PubChem CID146381806
Molecular FormulaC22H28N8O4
Molecular Weight468.52 g/mol
Exact Mass468.22
IUPAC Nametert-butyl (3R)-3-[3-[6-[(3-methoxy-1-methylpyrazole-4-carbonyl)amino]-2-pyridinyl]-1,2,4-triazol-4-yl]pyrrolidine-1-carboxylate
SMILESCOc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2[C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1
InChIInChI=1S/C22H28N8O4/c1-22(2,3)34-21(32)29-10-9-14(11-29)30-13-23-26-18(30)16-7-6-8-17(24-16)25-19(31)15-12-28(4)27-20(15)33-5/h6-8,12-14H,9-11H2,1-5H3,(H,24,25,31)/t14-/m1/s1
InChIKeyZZVKNUGOAWRDEZ-CQSZACIVSA-N
XLogP2.52
TPSA129.29 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.52
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze tert-butyl (3R)-3-[3-[6-[(3-methoxy-1-methylpyrazole-4-carbonyl)amino]-2-pyridinyl]-1,2,4-triazol-4-yl]pyrrolidine-1-carboxylate 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

N-(6-(4-Isopropyl-4H-1,2,4-triazol-3-yl)pyridin-2-yl)-3-methoxy-1-(pyrazin-2-yl)-1H-pyrazole-4-carboxamide
CID 146027049
3-methoxy-1-methyl-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]pyridin-2-yl]pyrazole-4-carboxamide
CID 146381559
3-methoxy-1-methyl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide
CID 146381268
3-methoxy-1-methyl-N-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide
CID 146381271
1-ethyl-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide
CID 146381276
N-[6-[4-(1-hydroxypropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 146381283
N-[6-[4-(2,2-difluorocyclobutyl)-1,2,4-triazol-3-yl]pyridin-2-yl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 146381286
3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-pyridin-3-ylpyrazole-4-carboxamide
CID 146381295
3-methoxy-N-[6-[4-[(2R)-1-methoxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-1-methylpyrazole-4-carboxamide
CID 146381344
1-ethyl-3-methoxy-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide
CID 146381346
3-methoxy-1-methyl-N-[6-(3-propan-2-ylimidazol-4-yl)-2-pyridinyl]pyrazole-4-carboxamide
CID 146381369
3-methoxy-1-pyrazin-2-yl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide
CID 146381371

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[3-[6-[(3-methoxy-1-methylpyrazole-4-carbonyl)amino]-2-pyridinyl]-1,2,4-triazol-4-yl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[3-[6-[(3-methoxy-1-methylpyrazole-4-carbonyl)amino]-2-pyridinyl]-1,2,4-triazol-4-yl]pyrrolidine-1-carboxylate (CID 146381806) is tert-butyl (3R)-3-[3-[6-[(3-methoxy-1-methylpyrazole-4-carbonyl)amino]-2-pyridinyl]-1,2,4-triazol-4-yl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[3-[6-[(3-methoxy-1-methylpyrazole-4-carbonyl)amino]-2-pyridinyl]-1,2,4-triazol-4-yl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[3-[6-[(3-methoxy-1-methylpyrazole-4-carbonyl)amino]-2-pyridinyl]-1,2,4-triazol-4-yl]pyrrolidine-1-carboxylate is COc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2[C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1.
What is the InChIKey of tert-butyl (3R)-3-[3-[6-[(3-methoxy-1-methylpyrazole-4-carbonyl)amino]-2-pyridinyl]-1,2,4-triazol-4-yl]pyrrolidine-1-carboxylate?
The InChIKey is ZZVKNUGOAWRDEZ-CQSZACIVSA-N. The full InChI is InChI=1S/C22H28N8O4/c1-22(2,3)34-21(32)29-10-9-14(11-29)30-13-23-26-18(30)16-7-6-8-17(24-16)25-19(31)15-12-28(4)27-20(15)33-5/h6-8,12-14H,9-11H2,1-5H3,(H,24,25,31)/t14-/m1/s1.
What are the key properties of tert-butyl (3R)-3-[3-[6-[(3-methoxy-1-methylpyrazole-4-carbonyl)amino]-2-pyridinyl]-1,2,4-triazol-4-yl]pyrrolidine-1-carboxylate?
tert-butyl (3R)-3-[3-[6-[(3-methoxy-1-methylpyrazole-4-carbonyl)amino]-2-pyridinyl]-1,2,4-triazol-4-yl]pyrrolidine-1-carboxylate has a molecular weight of 468.52 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[3-[6-[(3-methoxy-1-methylpyrazole-4-carbonyl)amino]-2-pyridinyl]-1,2,4-triazol-4-yl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 146381806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).