tert-butyl (3R)-3-[[2-(6-fluoro-3-methylindazol-1-yl)pyrimidine-5-carbonyl]amino]pyrrolidine-1-carboxylate

C22H25FN6O3 — CID 176790813

IUPACtert-butyl (3R)-3-[[2-(6-fluoro-3-methylindazol-1-yl)pyrimidine-5-carbonyl]amino]pyrrolidine-1-carboxylate
SMILESCc1nn(-c2ncc(C(=O)N[C@@H]3CCN(C(=O)OC(C)(C)C)C3)cn2)c2cc(F)ccc12
InChIInChI=1S/C22H25FN6O3/c1-13-17-6-5-15(23)9-18(17)29(27-13)20-24-10-14(11-25-20)19(30)26-16-7-8-28(12-16)21(31)32-22(2,3)4/h5-6,9-11,16H,7-8,12H2,1-4H3,(H,26,30)/t16-/m1/s1
InChIKeyUQKHDCLUYNFSMJ-MRXNPFEDSA-N
MW440.48 g/mol
LogP3.00
Rot. Bonds3

About tert-butyl (3R)-3-[[2-(6-fluoro-3-methylindazol-1-yl)pyrimidine-5-carbonyl]amino]pyrrolidine-1-carboxylate

tert-butyl (3R)-3-[[2-(6-fluoro-3-methylindazol-1-yl)pyrimidine-5-carbonyl]amino]pyrrolidine-1-carboxylate (PubChem CID 176790813) has the molecular formula C22H25FN6O3 and a molecular weight of 440.48 g/mol. Its IUPAC name is tert-butyl (3R)-3-[[2-(6-fluoro-3-methylindazol-1-yl)pyrimidine-5-carbonyl]amino]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[[2-(6-fluoro-3-methylindazol-1-yl)pyrimidine-5-carbonyl]amino]pyrrolidine-1-carboxylate
PubChem CID176790813
Molecular FormulaC22H25FN6O3
Molecular Weight440.48 g/mol
Exact Mass440.20
IUPAC Nametert-butyl (3R)-3-[[2-(6-fluoro-3-methylindazol-1-yl)pyrimidine-5-carbonyl]amino]pyrrolidine-1-carboxylate
SMILESCc1nn(-c2ncc(C(=O)N[C@@H]3CCN(C(=O)OC(C)(C)C)C3)cn2)c2cc(F)ccc12
InChIInChI=1S/C22H25FN6O3/c1-13-17-6-5-15(23)9-18(17)29(27-13)20-24-10-14(11-25-20)19(30)26-16-7-8-28(12-16)21(31)32-22(2,3)4/h5-6,9-11,16H,7-8,12H2,1-4H3,(H,26,30)/t16-/m1/s1
InChIKeyUQKHDCLUYNFSMJ-MRXNPFEDSA-N
XLogP3.00
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl (3R)-3-[[2-(6-fluoro-3-methylindazol-1-yl)pyrimidine-5-carbonyl]amino]pyrrolidine-1-carboxylate with MolForge

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Related Compounds

propan-2-yl 4-[[2-(6-fluoro-3-methylindazol-1-yl)pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate
CID 176790936
2-(6-fluoro-3-methylindazol-1-yl)-N-[1-(oxetane-3-carbonyl)piperidin-4-yl]pyrimidine-5-carboxamide
CID 176791137
tert-butyl 3-[[2-[3-(trifluoromethyl)indazol-1-yl]pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate
CID 176791007
tert-butyl 3-(pyridine-4-carbonylamino)pyrrolidine-1-carboxylate
CID 66630666
tert-butyl 4-[(3-fluorobenzoyl)amino]piperidine-1-carboxylate
CID 53255515
tert-butyl (3S)-3-[(4-iodobenzoyl)amino]pyrrolidine-1-carboxylate
CID 169298596
tert-butyl (3S)-3-[(5-fluoro-2-methoxybenzoyl)amino]piperidine-1-carboxylate
CID 146123662
tert-butyl (3R)-3-[(4-amino-2-fluorobenzoyl)amino]pyrrolidine-1-carboxylate
CID 122598249
tert-butyl 3-[(6-fluoroquinolin-4-yl)amino]pyrrolidine-1-carboxylate
CID 175301027
[6-fluoro-1-[(3R,4S)-3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]indazol-3-yl]boronic acid
CID 178042719
tert-butyl 3-[[2-fluoro-4-(4-methylimidazol-1-yl)benzoyl]amino]pyrrolidine-1-carboxylate
CID 175090651
tert-butyl (3R)-3-benzamidopiperidine-1-carboxylate
CID 124562496

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[[2-(6-fluoro-3-methylindazol-1-yl)pyrimidine-5-carbonyl]amino]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[[2-(6-fluoro-3-methylindazol-1-yl)pyrimidine-5-carbonyl]amino]pyrrolidine-1-carboxylate (CID 176790813) is tert-butyl (3R)-3-[[2-(6-fluoro-3-methylindazol-1-yl)pyrimidine-5-carbonyl]amino]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[[2-(6-fluoro-3-methylindazol-1-yl)pyrimidine-5-carbonyl]amino]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[[2-(6-fluoro-3-methylindazol-1-yl)pyrimidine-5-carbonyl]amino]pyrrolidine-1-carboxylate is Cc1nn(-c2ncc(C(=O)N[C@@H]3CCN(C(=O)OC(C)(C)C)C3)cn2)c2cc(F)ccc12.
What is the InChIKey of tert-butyl (3R)-3-[[2-(6-fluoro-3-methylindazol-1-yl)pyrimidine-5-carbonyl]amino]pyrrolidine-1-carboxylate?
The InChIKey is UQKHDCLUYNFSMJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H25FN6O3/c1-13-17-6-5-15(23)9-18(17)29(27-13)20-24-10-14(11-25-20)19(30)26-16-7-8-28(12-16)21(31)32-22(2,3)4/h5-6,9-11,16H,7-8,12H2,1-4H3,(H,26,30)/t16-/m1/s1.
What are the key properties of tert-butyl (3R)-3-[[2-(6-fluoro-3-methylindazol-1-yl)pyrimidine-5-carbonyl]amino]pyrrolidine-1-carboxylate?
tert-butyl (3R)-3-[[2-(6-fluoro-3-methylindazol-1-yl)pyrimidine-5-carbonyl]amino]pyrrolidine-1-carboxylate has a molecular weight of 440.48 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[[2-(6-fluoro-3-methylindazol-1-yl)pyrimidine-5-carbonyl]amino]pyrrolidine-1-carboxylate is sourced from PubChem (CID 176790813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).