tert-butyl 3-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridin-6-yl]pyrrolidine-1-carboxylate

C30H33FN6O3 — CID 134328612

IUPACtert-butyl 3-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridin-6-yl]pyrrolidine-1-carboxylate
SMILESCc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(C4CCN(C(=O)OC(C)(C)C)C4)cn23)c1
InChIInChI=1S/C30H33FN6O3/c1-18-11-25(31)24(28(38)34-22-6-7-22)12-23(18)21-13-33-37(17-21)27-14-32-26-8-5-19(16-36(26)27)20-9-10-35(15-20)29(39)40-30(2,3)4/h5,8,11-14,16-17,20,22H,6-7,9-10,15H2,1-4H3,(H,34,38)
InChIKeyVBRZQGSLCVHPOJ-UHFFFAOYSA-N
MW544.63 g/mol
LogP5.25
Rot. Bonds5

About tert-butyl 3-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridin-6-yl]pyrrolidine-1-carboxylate

tert-butyl 3-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridin-6-yl]pyrrolidine-1-carboxylate (PubChem CID 134328612) has the molecular formula C30H33FN6O3 and a molecular weight of 544.63 g/mol. Its IUPAC name is tert-butyl 3-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridin-6-yl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridin-6-yl]pyrrolidine-1-carboxylate
PubChem CID134328612
Molecular FormulaC30H33FN6O3
Molecular Weight544.63 g/mol
Exact Mass544.26
IUPAC Nametert-butyl 3-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridin-6-yl]pyrrolidine-1-carboxylate
SMILESCc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(C4CCN(C(=O)OC(C)(C)C)C4)cn23)c1
InChIInChI=1S/C30H33FN6O3/c1-18-11-25(31)24(28(38)34-22-6-7-22)12-23(18)21-13-33-37(17-21)27-14-32-26-8-5-19(16-36(26)27)20-9-10-35(15-20)29(39)40-30(2,3)4/h5,8,11-14,16-17,20,22H,6-7,9-10,15H2,1-4H3,(H,34,38)
InChIKeyVBRZQGSLCVHPOJ-UHFFFAOYSA-N
XLogP5.25
TPSA93.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.63
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopropyl-5-[1-[7-ethoxy-6-(4-fluoropiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;hydrochloride
CID 134328578
3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridine-7-carboxylic acid
CID 134328481
N-cyclopropyl-4-methyl-3-[1-[6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide
CID 134328558
tert-butyl 4-[4-(cyclohexylcarbamoyl)-1-(3,4-dimethylphenyl)pyrazol-5-yl]piperidine-1-carboxylate
CID 46280606
3-[1-(6-tert-butylsulfinyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide
CID 155015549
tert-butyl 3-[[2-fluoro-4-(4-methylimidazol-1-yl)benzoyl]amino]pyrrolidine-1-carboxylate
CID 175090651
2-fluoro-5-methyl-4-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]benzoic acid
CID 171906130
tert-butyl 3-(6-fluoro-3-pyridinyl)pyrrolidine-1-carboxylate
CID 146204566
tert-butyl 3-[(4,5-diamino-2-fluorobenzoyl)amino]piperidine-1-carboxylate
CID 166815279
tert-butyl (3R)-3-[(4-amino-2-fluorobenzoyl)amino]pyrrolidine-1-carboxylate
CID 122598249
N-cyclopropyl-5-[1-[5-[(3,3-difluoropiperidin-4-yl)methyl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide
CID 161138760
tert-butyl 3-(3-fluoro-5-methyl-2-pyridinyl)pyrrolidine-1-carboxylate
CID 145296635

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridin-6-yl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridin-6-yl]pyrrolidine-1-carboxylate (CID 134328612) is tert-butyl 3-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridin-6-yl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridin-6-yl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridin-6-yl]pyrrolidine-1-carboxylate is Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(C4CCN(C(=O)OC(C)(C)C)C4)cn23)c1.
What is the InChIKey of tert-butyl 3-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridin-6-yl]pyrrolidine-1-carboxylate?
The InChIKey is VBRZQGSLCVHPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33FN6O3/c1-18-11-25(31)24(28(38)34-22-6-7-22)12-23(18)21-13-33-37(17-21)27-14-32-26-8-5-19(16-36(26)27)20-9-10-35(15-20)29(39)40-30(2,3)4/h5,8,11-14,16-17,20,22H,6-7,9-10,15H2,1-4H3,(H,34,38).
What are the key properties of tert-butyl 3-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridin-6-yl]pyrrolidine-1-carboxylate?
tert-butyl 3-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridin-6-yl]pyrrolidine-1-carboxylate has a molecular weight of 544.63 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridin-6-yl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 134328612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).