tert-butyl (3R)-3-[6-[(6-chloro-2-methyl-3-oxopyridazin-4-yl)amino]-3-pyridinyl]pyrrolidine-1-carboxylate

C19H24ClN5O3 — CID 66742894

IUPACtert-butyl (3R)-3-[6-[(6-chloro-2-methyl-3-oxopyridazin-4-yl)amino]-3-pyridinyl]pyrrolidine-1-carboxylate
SMILESCn1nc(Cl)cc(Nc2ccc([C@H]3CCN(C(=O)OC(C)(C)C)C3)cn2)c1=O
InChIInChI=1S/C19H24ClN5O3/c1-19(2,3)28-18(27)25-8-7-13(11-25)12-5-6-16(21-10-12)22-14-9-15(20)23-24(4)17(14)26/h5-6,9-10,13H,7-8,11H2,1-4H3,(H,21,22)/t13-/m0/s1
InChIKeyMBNUMUZBLQVBGY-ZDUSSCGKSA-N
MW405.89 g/mol
LogP3.30
Rot. Bonds3

About tert-butyl (3R)-3-[6-[(6-chloro-2-methyl-3-oxopyridazin-4-yl)amino]-3-pyridinyl]pyrrolidine-1-carboxylate

tert-butyl (3R)-3-[6-[(6-chloro-2-methyl-3-oxopyridazin-4-yl)amino]-3-pyridinyl]pyrrolidine-1-carboxylate (PubChem CID 66742894) has the molecular formula C19H24ClN5O3 and a molecular weight of 405.89 g/mol. Its IUPAC name is tert-butyl (3R)-3-[6-[(6-chloro-2-methyl-3-oxopyridazin-4-yl)amino]-3-pyridinyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[6-[(6-chloro-2-methyl-3-oxopyridazin-4-yl)amino]-3-pyridinyl]pyrrolidine-1-carboxylate
PubChem CID66742894
Molecular FormulaC19H24ClN5O3
Molecular Weight405.89 g/mol
Exact Mass405.16
IUPAC Nametert-butyl (3R)-3-[6-[(6-chloro-2-methyl-3-oxopyridazin-4-yl)amino]-3-pyridinyl]pyrrolidine-1-carboxylate
SMILESCn1nc(Cl)cc(Nc2ccc([C@H]3CCN(C(=O)OC(C)(C)C)C3)cn2)c1=O
InChIInChI=1S/C19H24ClN5O3/c1-19(2,3)28-18(27)25-8-7-13(11-25)12-5-6-16(21-10-12)22-14-9-15(20)23-24(4)17(14)26/h5-6,9-10,13H,7-8,11H2,1-4H3,(H,21,22)/t13-/m0/s1
InChIKeyMBNUMUZBLQVBGY-ZDUSSCGKSA-N
XLogP3.30
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.89
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl (3R)-3-[6-[(6-chloro-2-methyl-3-oxopyridazin-4-yl)amino]-3-pyridinyl]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

tert-butyl 4-[6-[(6-chloro-2-methyl-3-oxopyridazin-4-yl)amino]-3-pyridinyl]piperidine-1-carboxylate
CID 66742247
6-chloro-2-methyl-4-[[5-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]amino]pyridazin-3-one
CID 66743341
tert-butyl 6-[6-[(6-chloro-2-methyl-3-oxopyridazin-4-yl)amino]-3-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 66742401
tert-butyl 3-(6-fluoro-3-pyridinyl)pyrrolidine-1-carboxylate
CID 146204566
tert-butyl 3-(2,6-dimethyl-4-pyridinyl)pyrrolidine-1-carboxylate
CID 135135114
tert-butyl 3-(3,4,5-trichlorophenyl)pyrrolidine-1-carboxylate
CID 169498313
tert-butyl 3-(4-tert-butylphenyl)pyrrolidine-1-carboxylate
CID 169495150
6-(iodomethyl)-2-methyl-4-[[5-(1-methylpiperidin-4-yl)-2-pyridinyl]amino]pyridazin-3-one
CID 89411686
tert-butyl 3-(6-methoxy-3-pyridinyl)piperidine-1-carboxylate
CID 163238292
tert-butyl 3-[4-(methylamino)phenyl]pyrrolidine-1-carboxylate
CID 58315636
tert-butyl (3R)-3-pyridin-4-ylpyrrolidine-1-carboxylate
CID 86336206
tert-butyl 3-[2-[[5-chloro-4-(2-dimethylphosphorylanilino)-2-pyridinyl]amino]-4-pyridinyl]pyrrolidine-1-carboxylate
CID 163211839

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[6-[(6-chloro-2-methyl-3-oxopyridazin-4-yl)amino]-3-pyridinyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[6-[(6-chloro-2-methyl-3-oxopyridazin-4-yl)amino]-3-pyridinyl]pyrrolidine-1-carboxylate (CID 66742894) is tert-butyl (3R)-3-[6-[(6-chloro-2-methyl-3-oxopyridazin-4-yl)amino]-3-pyridinyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[6-[(6-chloro-2-methyl-3-oxopyridazin-4-yl)amino]-3-pyridinyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[6-[(6-chloro-2-methyl-3-oxopyridazin-4-yl)amino]-3-pyridinyl]pyrrolidine-1-carboxylate is Cn1nc(Cl)cc(Nc2ccc([C@H]3CCN(C(=O)OC(C)(C)C)C3)cn2)c1=O.
What is the InChIKey of tert-butyl (3R)-3-[6-[(6-chloro-2-methyl-3-oxopyridazin-4-yl)amino]-3-pyridinyl]pyrrolidine-1-carboxylate?
The InChIKey is MBNUMUZBLQVBGY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H24ClN5O3/c1-19(2,3)28-18(27)25-8-7-13(11-25)12-5-6-16(21-10-12)22-14-9-15(20)23-24(4)17(14)26/h5-6,9-10,13H,7-8,11H2,1-4H3,(H,21,22)/t13-/m0/s1.
What are the key properties of tert-butyl (3R)-3-[6-[(6-chloro-2-methyl-3-oxopyridazin-4-yl)amino]-3-pyridinyl]pyrrolidine-1-carboxylate?
tert-butyl (3R)-3-[6-[(6-chloro-2-methyl-3-oxopyridazin-4-yl)amino]-3-pyridinyl]pyrrolidine-1-carboxylate has a molecular weight of 405.89 g/mol, XLogP of 3.30, 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-[6-[(6-chloro-2-methyl-3-oxopyridazin-4-yl)amino]-3-pyridinyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 66742894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).